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bicyclo[4.1.0]-7-carboethoxy-7-phenylheptan-2-one
SpectraBase Compound ID 1hclNwCFAGF
InChI InChI=1S/C16H18O3/c1-2-19-15(18)16(11-7-4-3-5-8-11)12-9-6-10-13(17)14(12)16/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKey HXBZJAPCYWPNOT-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrGz8eF1hX0
Name bicyclo[4.1.0]-7-carboethoxy-7-phenylheptan-2-one
Alternate Name(s) Ethyl 2-oxo-7-phenylbicyclo[4.1.0]heptane-7-carboxylate
CAS Registry Number 125117-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-2-19-15(18)16(11-7-4-3-5-8-11)12-9-6-10-13(17)14(12)16/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKey HXBZJAPCYWPNOT-UHFFFAOYSA-N
Molecular Weight 258.317 g/mol
SMILES C1(C2C(=O)CCCC12)(C(=O)OCC)c1ccccc1
SPLASH splash10-0bt9-0190000000-35352d71a17dd26de1f0
Source of Spectrum F-45-3019-12
Wiley ID 1262043