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1H-Isoindole-1,3(2H)-dione, hexahydro-4-hydroxy-3a,7a-dimethyl-2-phenyl-, [3aS-(3a.alpha.,4.beta.,7a.alpha.)]-
SpectraBase Compound ID Be68JY09XKq
InChI InChI=1S/C16H19NO3/c1-15-10-6-9-12(18)16(15,2)14(20)17(13(15)19)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10H2,1-2H3
InChIKey KEOOQQJOXYAIRZ-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JmM6rE3i2x
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-4-hydroxy-3a,7a-dimethyl-2-phenyl-, [3aS-(3a.alpha.,4.beta.,7a.alpha.)]-
CAS Registry Number 54345-99-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-15-10-6-9-12(18)16(15,2)14(20)17(13(15)19)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10H2,1-2H3
InChIKey KEOOQQJOXYAIRZ-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES OC1CCCC2(C)C(N(c3ccccc3)C(C12C)=O)=O
SPLASH splash10-0udi-7190000000-e733f04c4e550ad51f34
Source of Spectrum H-57-50-7
Synonyms 4-Hydroxy-3a,7a-dimethyl-2-phenylhexahydro-1H-isoindole-1,3(2H)-dione 3a,7a-dimethyl-4-oxidanyl-2-phenyl-4,5,6,7-tetrahydroisoindole-1,3-dione 4-Hydroxy-3a,7a-dimethyl-2-phenyl-4,5,6,7-tetrahydroisoindole-1,3-dione 4-Hydroxy-3a,7a-dimethyl-2-phenyl-4,5,6,7-tetrahydroisoindole-1,3-quinone
Wiley ID 1277289