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2-(7-ketocyclohepta-2,4-dien-1-yl)acetic acid tert-butyl ester
SpectraBase Compound ID KKWADZ6EMml
InChI InChI=1S/C13H18O3/c1-13(2,3)16-12(15)9-10-7-5-4-6-8-11(10)14/h4-7,10H,8-9H2,1-3H3
InChIKey AMACIKBNPDAVBP-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAmsUesDp42
Name 2-(7-ketocyclohepta-2,4-dien-1-yl)acetic acid tert-butyl ester
CAS Registry Number 115912-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,3)16-12(15)9-10-7-5-4-6-8-11(10)14/h4-7,10H,8-9H2,1-3H3
InChIKey AMACIKBNPDAVBP-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(CC1C(=O)CC=CC=C1)(OC(C)(C)C)=O
SPLASH splash10-0002-0910000000-11ffb09bf64314928874
Source of Spectrum J-53-4597-0
Synonyms 2-(7-oxo-1-cyclohepta-2,4-dienyl)acetic acid tert-butyl ester tert-Butyl (7-oxo-2,4-cycloheptadien-1-yl)acetate tert-Butyl 2-(7-oxidanylidenecyclohepta-2,4-dien-1-yl)ethanoate tert-Butyl 2-(7-oxocyclohepta-2,4-dien-1-yl)acetate
Wiley ID 1222613