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7-Hydroxy-5-heptynoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-Hydroxy-5-heptynoic acid methyl ester
SpectraBase Compound ID ELlOBrYvWXq
InChI InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7-9/h9H,2,4,6-7H2,1H3
InChIKey MJJQYDLZLSJJMW-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fdxM6v1flJ
Name 7-Hydroxy-5-heptynoic acid methyl ester
CAS Registry Number 50781-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7-9/h9H,2,4,6-7H2,1H3
InChIKey MJJQYDLZLSJJMW-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES OCC#CCCCC(=O)OC
SPLASH splash10-00pi-9100000000-5f447df1a33678a8003f
Source of Spectrum B-40-277-8
Synonyms 7-Hydroxyhept-5-ynoic acid methyl ester Methyl 7-hydroxy-5-heptynoate Methyl 7-hydroxyhept-5-ynoate Methyl 7-oxidanylhept-5-ynoate
Wiley ID 1153442