Spectrum FFF00285 for Oseltamivir

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Non-Natural Product
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
VSZGPKBBMSAYNT-RRFJBIMHSA-N
C16H28N2O4
312.204907376
O=C(OCC)C1=CC(OC(CC)CC)C(N=C(O)C)C(N)C1

Mass Spectral Metadata

NameValue
FFF00285
2016.01.19 (Created 2011.04.26)
Atsushi Yamamoto
CC BY-SA
PFOS.jp
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
312.20491
API2000, Applied
LC-APPI-QQ
MS1
0.821100 min
[M+H]+
positive
3.081174911554184
0.6244181149416517
313.3
[M+H]+
278.08051069268083 ppm
0.08712262400001691 Da