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6-[(3-keto-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]indane-4-carboxylic acid
SpectraBase Compound ID 92UEbzabDPy
InChI InChI=1S/C23H22O3/c24-22-18(11-17-10-14-3-1-4-15(14)12-20(17)22)8-13-7-16-5-2-6-19(16)21(9-13)23(25)26/h7,9-10,12,18H,1-6,8,11H2,(H,25,26)
InChIKey ASHCVHNGCCGOMG-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C23H22O3
Exact Mass 346.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39uWsVeWZ5O
Name 6-[(3-keto-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]indane-4-carboxylic acid
CAS Registry Number 113364-82-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O3
InChI InChI=1S/C23H22O3/c24-22-18(11-17-10-14-3-1-4-15(14)12-20(17)22)8-13-7-16-5-2-6-19(16)21(9-13)23(25)26/h7,9-10,12,18H,1-6,8,11H2,(H,25,26)
InChIKey ASHCVHNGCCGOMG-UHFFFAOYSA-N
Molecular Weight 346.426 g/mol
SMILES OC(c1cc(CC2C(c3c(C2)cc2c(c3)CCC2)=O)cc2c1CCC2)=O
SPLASH splash10-00dj-0709000000-2c6af683ed40ff5258f4
Source of Spectrum AH-118-652-19
Synonyms 6-[(3-oxidanylidene-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]-2,3-dihydro-1H-indene-4-carboxylic acid 6-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]-2,3-dihydro-1H-indene-4-carboxylic acid 6-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]indane-4-carboxylic acid
Wiley ID 1339703