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4-Pentenoic acid, 4-methyl-, methyl ester

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

4-Pentenoic acid, 4-methyl-, methyl ester
SpectraBase Compound ID 37uEPD0DBEL
InChI InChI=1S/C7H12O2/c1-6(2)4-5-7(8)9-3/h1,4-5H2,2-3H3
InChIKey GTGLSKYONBFMMS-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xDocGGoiwM
Name Methyl 4-methyl-4-pentenoate
CAS Registry Number 2258-59-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6(2)4-5-7(8)9-3/h1,4-5H2,2-3H3
InChIKey GTGLSKYONBFMMS-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES C(=O)(CCC(=C)C)OC
SPLASH splash10-014l-9000000000-3bd0bd82ff17d591fe1c
Source of Spectrum HE-1986-792-0
Synonyms 4-Methyl-4-pentenoic acid methyl ester 4-Methylpent-4-enoic acid methyl ester 4-Pentenoic acid, 4-methyl-, methyl ester Methyl 4-methylpent-4-enoate
Wiley ID 1131181