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Carbamic acid, methyl[1,3,4,5-tetrahydro-5-(1-hydroxy-2-methyl-2-propenyl)benz[cd]in dol-4-yl]-, 1,1-dimethylethyl ester, [4.alpha.,5.beta.(S*)]-(.+-.)-
SpectraBase Compound ID 9zdTzXO76Eq
InChI InChI=1S/C21H28N2O3/c1-12(2)19(24)18-14-8-7-9-15-17(14)13(11-22-15)10-16(18)23(6)20(25)26-21(3,4)5/h7-9,11,16,18-19,22,24H,1,10H2,2-6H3/t16-,18+,19-/m1/s1
InChIKey ZDAKEXMNJIEFGT-NZSAHSFTSA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Cl4EniL80r
Name Carbamic acid, methyl[1,3,4,5-tetrahydro-5-(1-hydroxy-2-methyl-2-propenyl)benz[cd]in dol-4-yl]-, 1,1-dimethylethyl ester, [4.alpha.,5.beta.(S*)]-(.+-.)-
CAS Registry Number 89396-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3
InChI InChI=1S/C21H28N2O3/c1-12(2)19(24)18-14-8-7-9-15-17(14)13(11-22-15)10-16(18)23(6)20(25)26-21(3,4)5/h7-9,11,16,18-19,22,24H,1,10H2,2-6H3/t16-,18+,19-/m1/s1
InChIKey ZDAKEXMNJIEFGT-NZSAHSFTSA-N
Molecular Weight 356.466 g/mol
SMILES [nH]1cc2C[C@]([C@@]([C@@](C(=C)C)(O)[H])(c3c2c1ccc3)[H])(N(C(OC(C)(C)C)=O)C)[H]
SPLASH splash10-0ufr-0950000000-be03f425a11da789bf53
Source of Spectrum F-39-3904-0
Synonyms Benz[cd]indole, carbamic acid deriv. t-Butyl (4R*,5S*,1'R*)-N-(5-(2'-methyl-2'-propen-1'-ol)-1,3,4,5-tetrahydrobenz(cd)indolyl)-N-methylcarbamate t-Butyl(4R*,5S*,1'S*)-N-(5-(2'-methyl-2'-methyl-2'-propen-1'-ol)-1,3,4,5-tetrahydrobenz(cd)indol-4-yl)-N-methyl-carbamate tert-Butyl (4R,5S)-5-[(1S)-1-hydroxy-2-methyl-2-propenyl]-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl(methyl)carbamate
Wiley ID 1345960