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1H-Indene-5-propanoic acid, 6-carboxy-.alpha.-[(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-, .alpha.-methyl ester, (.+-.)-
SpectraBase Compound ID 5gJonXfGrgD
InChI InChI=1S/C24H26O4/c1-28-24(27)21(11-15-8-9-16-4-2-5-17(16)10-15)13-20-12-18-6-3-7-19(18)14-22(20)23(25)26/h8-10,12,14,21H,2-7,11,13H2,1H3,(H,25,26)
InChIKey RWAGRVRICCXCGG-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C24H26O4
Exact Mass 378.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ox9W4N6ycw
Name 1H-Indene-5-propanoic acid, 6-carboxy-.alpha.-[(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-, .alpha.-methyl ester, (.+-.)-
CAS Registry Number 117460-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O4
InChI InChI=1S/C24H26O4/c1-28-24(27)21(11-15-8-9-16-4-2-5-17(16)10-15)13-20-12-18-6-3-7-19(18)14-22(20)23(25)26/h8-10,12,14,21H,2-7,11,13H2,1H3,(H,25,26)
InChIKey RWAGRVRICCXCGG-UHFFFAOYSA-N
Molecular Weight 378.468 g/mol
SMILES OC(c1c(CC(C(=O)OC)Cc2cc3CCCc3cc2)cc2c(CCC2)c1)=O
SPLASH splash10-003r-0908000000-3a03539327aca2028676
Source of Spectrum AH-119-638-4
Synonyms 6-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl]-5-indanecarboxylic acid Methy 3-(6-hydroxycarbonyl-5-indanyl)-2-(5-indanylmethyl)propanoate
Wiley ID 1358993