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Cyclopentaneacetic acid, 4-(hydroxymethylene)-3-oxo-2-(2-pentenyl)-, methyl ester
SpectraBase Compound ID 5Gzt4dT8Cos
InChI InChI=1S/C14H20O4/c1-3-4-5-6-12-10(8-13(16)18-2)7-11(9-15)14(12)17/h4-5,9-10,12,15H,3,6-8H2,1-2H3/b5-4-,11-9+
InChIKey BRDQLFQEKCPACT-JHGYFVHDSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qdDy4FCaW0
Name Cyclopentaneacetic acid, 4-(hydroxymethylene)-3-oxo-2-(2-pentenyl)-, methyl ester
Alternate Name(s) (Z)-5-Hydroxymethylidene-3-methoxycarbonylmethyl-2-(pent-2-enyl)cyclopentanone Methyl {(4E)-4-(hydroxymethylene)-3-oxo-2-[(2Z)-2-pentenyl]cyclopentyl}acetate
CAS Registry Number 66971-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-3-4-5-6-12-10(8-13(16)18-2)7-11(9-15)14(12)17/h4-5,9-10,12,15H,3,6-8H2,1-2H3/b5-4-,11-9+
InChIKey BRDQLFQEKCPACT-JHGYFVHDSA-N
Molecular Weight 252.310 g/mol
SMILES O\C=C\1C(C(C\C=C/CC)C(C1)CC(=O)OC)=O
SPLASH splash10-0wb9-3960000000-ed0eb1feea70b373619b
Source of Spectrum H-61-1001-0
Wiley ID 1255531