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(.alpha.R,3R)-3-(But-2-enyl)-3-hydroxy-2-(2-hydroxy-1-phenylethyl)-2,3-dihydroisoindol-1(1H)-one
SpectraBase Compound ID 5tqlyz7e7Kb
InChI InChI=1S/C20H21NO3/c1-2-3-13-20(24)17-12-8-7-11-16(17)19(23)21(20)18(14-22)15-9-5-4-6-10-15/h2-12,18,22,24H,13-14H2,1H3/b3-2+/t18-,20+/m0/s1
InChIKey ALEVPRVMFOUMBZ-QMUYELLFSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64vpJNhFXRa
Name (.alpha.R,3R)-3-(But-2-enyl)-3-hydroxy-2-(2-hydroxy-1-phenylethyl)-2,3-dihydroisoindol-1(1H)-one
Alternate Name(s) (3R)-3-[(2E)-2-butenyl]-3-hydroxy-2-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-2-3-13-20(24)17-12-8-7-11-16(17)19(23)21(20)18(14-22)15-9-5-4-6-10-15/h2-12,18,22,24H,13-14H2,1H3/b3-2+/t18-,20+/m0/s1
InChIKey ALEVPRVMFOUMBZ-QMUYELLFSA-N
Molecular Weight 323.392 g/mol
SMILES O[C@]1(N([C@@](CO)(c2ccccc2)[H])C(c2ccccc12)=O)C\C=C\C
SPLASH splash10-0a73-8910000000-93969069e3a4d92aa4c6
Source of Spectrum KC-60-1250-17
Wiley ID 1583248