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2-Pentenoic acid, 3-ethyl-4-hydroxy-4-methyl-, methyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

2-Pentenoic acid, 3-ethyl-4-hydroxy-4-methyl-, methyl ester, (E)-
SpectraBase Compound ID AiceWpM8vDZ
InChI InChI=1S/C9H16O3/c1-5-7(9(2,3)11)6-8(10)12-4/h6,11H,5H2,1-4H3/b7-6+
InChIKey RMNJZJBIXOHVCZ-VOTSOKGWSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV8K6xTHTOx
Name 2-Pentenoic acid, 3-ethyl-4-hydroxy-4-methyl-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-3-ethyl-4-hydroxy-4-methyl-2-pentenoate
CAS Registry Number 106664-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-5-7(9(2,3)11)6-8(10)12-4/h6,11H,5H2,1-4H3/b7-6+
InChIKey RMNJZJBIXOHVCZ-VOTSOKGWSA-N
Molecular Weight 172.224 g/mol
SMILES OC(\C(=C\C(=O)OC)CC)(C)C
SPLASH splash10-0fia-4900000000-1dd3aaf071340aeed67c
Source of Spectrum AJ-59-3545-14
Wiley ID 1168790