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as-Indacene-4-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-oxo-3-(phenylmethyl)-, methyl ester
SpectraBase Compound ID 8ztcWccbMcG
InChI InChI=1S/C21H20O3/c1-24-21(23)17-11-14-8-5-9-16(14)20-18(22)12-15(19(17)20)10-13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-10,12H2,1H3
InChIKey QNUPOIUAURGGEC-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BEgUcxm0y4
Name as-Indacene-4-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-oxo-3-(phenylmethyl)-, methyl ester
Alternate Name(s) Methyl 3-benzyl-1-oxo-1,2,3,6,7,8-hexahydro-as-indacene-4-carboxylate Methyl 3-benzyl-aS-indacen-1-one-4-carboxylate
CAS Registry Number 125868-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-24-21(23)17-11-14-8-5-9-16(14)20-18(22)12-15(19(17)20)10-13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-10,12H2,1H3
InChIKey QNUPOIUAURGGEC-UHFFFAOYSA-N
Molecular Weight 320.388 g/mol
SMILES c12c(C(=O)CC2Cc2ccccc2)c2CCCc2cc1C(=O)OC
SPLASH splash10-004i-0093000000-9121ec10587fe4f0d88a
Source of Spectrum AH-120-615-21
Wiley ID 1320519