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1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propenyl)-, cis-
SpectraBase Compound ID 9pUrZyKD2oA
InChI InChI=1S/C18H17NO3/c1-19-17(21)14-9-8-13(11-15(14)18(19)22)16(20)10-7-12-5-3-2-4-6-12/h2-8,10,14-15H,9,11H2,1H3/b10-7+/t14-,15+/m1/s1
InChIKey CZACSTFTHHDBHS-AEOIHIIDSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIbkImwH0PI
Name 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propenyl)-, cis-
CAS Registry Number 112091-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-19-17(21)14-9-8-13(11-15(14)18(19)22)16(20)10-7-12-5-3-2-4-6-12/h2-8,10,14-15H,9,11H2,1H3/b10-7+/t14-,15+/m1/s1
InChIKey CZACSTFTHHDBHS-AEOIHIIDSA-N
Molecular Weight 295.338 g/mol
SMILES C1(N(C([C@@]2(CC=C(C[C@]12[H])C(\C=C\c1ccccc1)=O)[H])=O)C)=O
SPLASH splash10-000t-2890000000-bd523be20caf6eb9286c
Source of Spectrum AJ-60-331-11
Synonyms (3aS,7aR)-2-methyl-5-[(2E)-3-phenyl-2-propenoyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 3-((e-2-phenylethenyl)carbonyl)-8-methyl-8-azabicyclo[4.3.0]nona-3-en-7,9-dione
Wiley ID 1298330