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(E)-methyl 1-acetyl-2-(4-(hydroxymethyl)benzylidene)cyclopentanecarboxylate
SpectraBase Compound ID NAirNHvjCn
InChI InChI=1S/C17H20O4/c1-12(19)17(16(20)21-2)9-3-4-15(17)10-13-5-7-14(11-18)8-6-13/h5-8,10,18H,3-4,9,11H2,1-2H3/b15-10+
InChIKey QRBCAYWCHXVKCL-XNTDXEJSSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enen3M61GWv
Name (E)-methyl 1-acetyl-2-(4-(hydroxymethyl)benzylidene)cyclopentanecarboxylate
Alternate Name(s) Methyl (E)-1-acetyl-2-(4-(hydroxymethyl)benzylidene)cyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-12(19)17(16(20)21-2)9-3-4-15(17)10-13-5-7-14(11-18)8-6-13/h5-8,10,18H,3-4,9,11H2,1-2H3/b15-10+
InChIKey QRBCAYWCHXVKCL-XNTDXEJSSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 288.343 g/mol
SMILES OCc1ccc(\C=C\2C(CCC2)(C(=O)C)C(=O)OC)cc1
SPLASH splash10-054o-5930000000-0b93a47ebb6edc80ec09
Source of Spectrum ASC-358-1820/SM6-11
Wiley ID 1807387