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cis-Hexahydro-6,6-dimethyl-3,3-diphenyl-2,4-benzofurandione
SpectraBase Compound ID JqccI8E1BCj
InChI InChI=1S/C22H22O3/c1-21(2)13-17(23)19-18(14-21)25-20(24)22(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKey KLINSJGIVAHZKH-RBUKOAKNSA-N
Mol Weight 334.42 g/mol
Molecular Formula C22H22O3
Exact Mass 334.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfkIl8RnXcW
Name cis-Hexahydro-6,6-dimethyl-3,3-diphenyl-2,4-benzofurandione
CAS Registry Number 54166-41-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O3
InChI InChI=1S/C22H22O3/c1-21(2)13-17(23)19-18(14-21)25-20(24)22(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKey KLINSJGIVAHZKH-RBUKOAKNSA-N
Molecular Weight 334.415 g/mol
SMILES C1(C([C@@]2(C(CC(C[C@@]2(O1)[H])(C)C)=O)[H])(c1ccccc1)c1ccccc1)=O
SPLASH splash10-0a5c-1194000000-ddad79c93c2354bd987d
Source of Spectrum J-40-1167-0
Synonyms (3aS,7aS)-6,6-dimethyl-3,3-diphenylhexahydro-1-benzofuran-2,4-dione
Wiley ID 1331373