Spectrum WA000319 for Venlafaxine

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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
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
PNVNVHUZROJLTJ-UHFFFAOYSA-N
C17H27NO2
277.204179104
OC1(CCCCC1)C(C2=CC=C(OC)C=C2)CN(C)C

Mass Spectral Metadata

NameValue
WA000319
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
277.20418
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.320 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
60 V
ignore rel.int. < 5
positive
2.2446328776744164
0.6365296066597561