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2-Heptynoic acid, methyl ester
SpectraBase Compound ID JTFCWhkIkxB
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3
InChIKey IATZLNCRIIUXJM-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3NFPXJBjSC
Name 2-Heptynoic acid, methyl ester
CAS Registry Number 18937-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3
InChIKey IATZLNCRIIUXJM-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES C(C(OC)=O)#CCCCC
SPLASH splash10-056u-9100000000-e56c18615021c5075abb
Source of Spectrum NP-1-886-0
Synonyms Methyl hept-2-ynoate 2-Heptynoic acid methyl ester Hept-2-ynoic acid methyl ester Methyl 2-heptynoate
Wiley ID 1097862