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3-Cycloheptene-1-carboxylic acid, 7-oxo-, methyl ester
SpectraBase Compound ID H3NUCupeyXn
InChI InChI=1S/C9H12O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-3,7H,4-6H2,1H3
InChIKey SEPYLLHVJDBTNY-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaE3x1bhCkt
Name 3-Cycloheptene-1-carboxylic acid, 7-oxo-, methyl ester
CAS Registry Number 64670-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h2-3,7H,4-6H2,1H3
InChIKey SEPYLLHVJDBTNY-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1(C(=O)OC)C(=O)CCC=CC1
SPLASH splash10-00m0-9400000000-1dfd1126983a2fa22101
Source of Spectrum I-55-1000-0
Synonyms 7-ketocyclohept-3-ene-1-carboxylic acid methyl ester 7-Oxo-1-cyclohept-3-enecarboxylic acid methyl ester Methyl 7-oxidanylidenecyclohept-3-ene-1-carboxylate Methyl 7-oxo-3-cycloheptene-1-carboxylate Methyl 7-oxocyclohept-3-ene-1-carboxylate
Wiley ID 1164319