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1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxydiphenylmethyl)-2-methyl-, cis-
SpectraBase Compound ID E8JBKmO2U4p
InChI InChI=1S/C22H21NO3/c1-23-20(24)18-13-12-17(14-19(18)21(23)25)22(26,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18-19,26H,13-14H2,1H3/t18-,19+/m1/s1
InChIKey KFNOZHHBAGMWCO-MOPGFXCFSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TDEtEKYvtx
Name 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxydiphenylmethyl)-2-methyl-, cis-
Alternate Name(s) (3aS,7aR)-5-[hydroxy(diphenyl)methyl]-2-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 1,1-Diphenyl-1-(1,3-dioxo-2-methyl-3a,4,7,7a-tetrahydro2H-isoindol-5-yl)methanol
CAS Registry Number 107164-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-23-20(24)18-13-12-17(14-19(18)21(23)25)22(26,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18-19,26H,13-14H2,1H3/t18-,19+/m1/s1
InChIKey KFNOZHHBAGMWCO-MOPGFXCFSA-N
Molecular Weight 347.414 g/mol
SMILES OC(C=1C[C@@]2(C(N(C([C@@]2(CC1)[H])=O)C)=O)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-056r-9803000000-0de4eba12eb451b58e58
Source of Spectrum AJ-59-2455-7
Wiley ID 1340130