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1-(Benzyl oxycarbonyl)-r-7-[3,4-(methylenedioxy)phenyl]-2,3,t-3a,4,7,t-7a-hexahydroindole
SpectraBase Compound ID LBbRIUgAfi8
InChI InChI=1S/C23H23NO4/c25-23(26-14-16-5-2-1-3-6-16)24-12-11-17-7-4-8-19(22(17)24)18-9-10-20-21(13-18)28-15-27-20/h1-6,8-10,13,17,19,22H,7,11-12,14-15H2/t17-,19+,22+/m0/s1
InChIKey AATLHSSHBQVDJQ-LRXVAGHRSA-N
Mol Weight 377.44 g/mol
Molecular Formula C23H23NO4
Exact Mass 377.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19qzTMrx1Mx
Name 1-(Benzyl oxycarbonyl)-r-7-[3,4-(methylenedioxy)phenyl]-2,3,t-3a,4,7,t-7a-hexahydroindole
Alternate Name(s) benzyl (3aS,7R,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-indole-1-carboxylate
CAS Registry Number 132541-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO4
InChI InChI=1S/C23H23NO4/c25-23(26-14-16-5-2-1-3-6-16)24-12-11-17-7-4-8-19(22(17)24)18-9-10-20-21(13-18)28-15-27-20/h1-6,8-10,13,17,19,22H,7,11-12,14-15H2/t17-,19+,22+/m0/s1
InChIKey AATLHSSHBQVDJQ-LRXVAGHRSA-N
Molecular Weight 377.440 g/mol
SMILES C(N1[C@]2([C@@](c3cc4OCOc4cc3)(C=CC[C@@]2([H])CC1)[H])[H])(OCc1ccccc1)=O
SPLASH splash10-006x-8900000000-3fb1013a37121a3aa6ec
Source of Spectrum J-56-2992-14
Wiley ID 1358325