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1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-, cis-
SpectraBase Compound ID BYNKy7ThmTH
InChI InChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-7,11-12H,8-9H2/t11-,12+
InChIKey QJDASFMHCXUEQK-TXEJJXNPSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvIzixqyd96
Name 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-, cis-
Alternate Name(s) (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS Registry Number 20141-47-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-7,11-12H,8-9H2/t11-,12+
InChIKey QJDASFMHCXUEQK-TXEJJXNPSA-N
Molecular Weight 227.263 g/mol
SMILES C1(N(C([C@]2(CC=CC[C@@]12[H])[H])=O)c1ccccc1)=O
SPLASH splash10-004i-0290000000-d2f4bc4927772747cca5
Source of Spectrum J-47-4735-0
Wiley ID 1228716