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(3aS,4R,7aS)-4-(dibenzylamino)-2-methyl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SpectraBase Compound ID FPhnzA5soIP
InChI InChI=1S/C25H26N2O2/c1-3-18-14-21-23(25(29)26(2)24(21)28)22(15-18)27(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h3-13,15,21-23H,1,14,16-17H2,2H3/t21-,22+,23-/m0/s1
InChIKey QGMNKBCCMJSNBL-ZRBLBEILSA-N
Mol Weight 386.5 g/mol
Molecular Formula C25H26N2O2
Exact Mass 386.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n8zZFxFS4
Name (3aS,4R,7aS)-4-(dibenzylamino)-2-methyl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.199428083 u
Formula C25H26N2O2
InChI InChI=1S/C25H26N2O2/c1-3-18-14-21-23(25(29)26(2)24(21)28)22(15-18)27(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h3-13,15,21-23H,1,14,16-17H2,2H3/t21-,22+,23-/m0/s1
InChIKey QGMNKBCCMJSNBL-ZRBLBEILSA-N
Instrument Name Agilent HP 6890 series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510925
Molecular Weight 386.495 g/mol
Reported Formula C25H26N2O2
SMILES C=1[C@]([C@@]2([C@](CC1C=C)(C(N(C2=O)C)=O)[H])[H])(N(CC1=CC=CC=C1)CC1=CC=CC=C1)[H]
SPLASH splash10-000b-0279000000-b80685a4556f1e0d1670
Source of Spectrum ACI-55-SM15-3d (DOI: 10.1002/anie.201510925)
Thin-Layer Chromatography 0.41 (petrol/EtOAc, 70:30)
Wiley ID 1895399