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Carbamic acid, (5-formyl-1,3,4,5-tetrahydrobenz[cd]indol-4-yl)methyl-, 1,1-dimethylethyl ester, trans-(.+-.)-
SpectraBase Compound ID 4PV838iTwIe
InChI InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20(4)15-8-11-9-19-14-7-5-6-12(16(11)14)13(15)10-21/h5-7,9-10,13,15,19H,8H2,1-4H3/t13-,15-/m0/s1
InChIKey YSGOCCSYHKAHBU-ZFWWWQNUSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3baZ2STGkDT
Name Carbamic acid, (5-formyl-1,3,4,5-tetrahydrobenz[cd]indol-4-yl)methyl-, 1,1-dimethylethyl ester, trans-(.+-.)-
Alternate Name(s) Benz[cd]indole, carbamic acid deriv. t-Butyl trans-N-(5-formyl-1,3,4,5-tetrahydrobenz(cd)indol-4-yl)-N-methyl carbamate tert-Butyl (4S,5S)-5-formyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl(methyl)carbamate
CAS Registry Number 76084-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20(4)15-8-11-9-19-14-7-5-6-12(16(11)14)13(15)10-21/h5-7,9-10,13,15,19H,8H2,1-4H3/t13-,15-/m0/s1
InChIKey YSGOCCSYHKAHBU-ZFWWWQNUSA-N
Molecular Weight 314.385 g/mol
SMILES [nH]1c2cccc3c2c(c1)C[C@@]([C@]3(C=O)[H])(N(C(OC(C)(C)C)=O)C)[H]
SPLASH splash10-0ue9-0900000000-524df9279b725b1ccf5d
Source of Spectrum F-39-3702-0
Wiley ID 1315147