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3a-Methyl-6,7-diphenyl-1,3a,4,7a-tetrahydroisobenzofuran-5(3H)-one
SpectraBase Compound ID GluApVtXpCw
InChI InChI=1S/C21H20O2/c1-21-12-18(22)20(16-10-6-3-7-11-16)19(17(21)13-23-14-21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-,21+/m1/s1
InChIKey SHYOAVPSQIURRI-UTKZUKDTSA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4cJgxEIrSB
Name 3a-Methyl-6,7-diphenyl-1,3a,4,7a-tetrahydroisobenzofuran-5(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2
InChI InChI=1S/C21H20O2/c1-21-12-18(22)20(16-10-6-3-7-11-16)19(17(21)13-23-14-21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-,21+/m1/s1
InChIKey SHYOAVPSQIURRI-UTKZUKDTSA-N
Literature Reference DOI 10.1021/ol101091r
Molecular Weight 304.389 g/mol
SMILES C=1(c2ccccc2)[C@@]2([C@@](CC(C1c1ccccc1)=O)(COC2)C)[H]
SPLASH splash10-0zfr-0549000000-0a5b084a546d25c8f5eb
Source of Spectrum A1-12-3082/SMS9-2c
Synonyms (3aR,7aR)-3a-methyl-6,7-diphenyl-1,3a,4,7a-tetrahydroisobenzofuran-5(3H)-one
Wiley ID 1752349