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6-Heptynoic acid, methyl ester
SpectraBase Compound ID AlGL3AEAJ2K
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h1H,4-7H2,2H3
InChIKey SIAYBFIHWUHVRJ-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 B1Xa1cd0CK8
Name 6-Heptynoic acid, methyl ester
CAS Registry Number 56909-02-5
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/h1H,4-7H2,2H3
InChIKey SIAYBFIHWUHVRJ-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES C(C(OC)=O)CCCC#C
SPLASH splash10-003u-9100000000-b8f21fdb5bf7bda2a19c
Source of Spectrum EP-4886-0-0
Synonyms Methyl 6-heptynoate Hept-6-ynoic acid methyl ester Methyl hept-6-ynoate
Wiley ID 1139234