Spectrum KO001625 for Propiolate

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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/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
UORVCLMRJXCDCP-UHFFFAOYSA-N
C3H2O2
70.005479304
O=C(O)C#C

Mass Spectral Metadata

NameValue
KO001625
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID P040
70.00548
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
0.0
NaN
69
[M-H]-
26.039072463761485 ppm
0.0017966959999995424 Da