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5-Ethyl-2-oxobicyclo[3.2.0]hepta-3,6-dien-1-yl benzoate
SpectraBase Compound ID 1effvRDF6Pg
InChI InChI=1S/C16H14O3/c1-2-15-9-8-13(17)16(15,11-10-15)19-14(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey JCCXOQIWWWUGSN-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85WhyyR6MGz
Name 5-Ethyl-2-oxobicyclo[3.2.0]hepta-3,6-dien-1-yl benzoate
CAS Registry Number 73830-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-2-15-9-8-13(17)16(15,11-10-15)19-14(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey JCCXOQIWWWUGSN-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES CCC12C=CC2(OC(c2ccccc2)=O)C(=O)C=C1
SPLASH splash10-0a4i-2900000000-d5761dbe7e6d3c539ee3
Source of Spectrum NP-7-3625-0
Synonyms 2-Oxobicyclo(3.2.2)nona-3,6-dien-1-yl benzoate benzoic acid (1-ethyl-4-oxo-5-bicyclo[3.2.0]hepta-2,6-dienyl) ester (1-ethyl-4-oxo-5-bicyclo[3.2.0]hepta-2,6-dienyl) benzoate (1-ethyl-4-oxidanylidene-5-bicyclo[3.2.0]hepta-2,6-dienyl) benzoate
Wiley ID 1106467