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1H-Indene-4-carboxylic acid, 6-[(2-bromo-1,2,3,5,6,7-hexahydro-1-oxo-s-indacen-2-yl)methyl]-2,3-dihydro-, methyl ester
SpectraBase Compound ID 7RNrUN0J1Hy
InChI InChI=1S/C24H23BrO3/c1-28-23(27)21-9-14(8-17-6-3-7-19(17)21)12-24(25)13-18-10-15-4-2-5-16(15)11-20(18)22(24)26/h8-11H,2-7,12-13H2,1H3
InChIKey NEEPZDDNYWYGPS-UHFFFAOYSA-N
Mol Weight 439.35 g/mol
Molecular Formula C24H23BrO3
Exact Mass 438.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJfQ0yIROwg
Name 1H-Indene-4-carboxylic acid, 6-[(2-bromo-1,2,3,5,6,7-hexahydro-1-oxo-s-indacen-2-yl)methyl]-2,3-dihydro-, methyl ester
CAS Registry Number 113364-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23BrO3
InChI InChI=1S/C24H23BrO3/c1-28-23(27)21-9-14(8-17-6-3-7-19(17)21)12-24(25)13-18-10-15-4-2-5-16(15)11-20(18)22(24)26/h8-11H,2-7,12-13H2,1H3
InChIKey NEEPZDDNYWYGPS-UHFFFAOYSA-N
Molecular Weight 439.349 g/mol
SMILES C1(C(c2cc3CCCc3cc2C1)=O)(Cc1cc(C(=O)OC)c2c(c1)CCC2)Br
SPLASH splash10-0a6r-0019200000-a650d8f7d32d16472fc0
Source of Spectrum AH-118-652-20
Synonyms s-Indacene, 1H-indene-4-carboxylic acid deriv. 2-Bromo-2-[7-methoxycarbonyl-(5-indanylmethyl)]-S-hydrindacen-1-one Methyl 6-[(2-bromo-1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl]-4-indanecarboxylate
Wiley ID 1384119