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3H-Benz[e]indole-3-carboxylic acid, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, (R)-
SpectraBase Compound ID IX4aUPkr3uP
InChI InChI=1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m0/s1
InChIKey DGPQGWRHSMFTSW-NSHDSACASA-N
Mol Weight 333.82 g/mol
Molecular Formula C18H20ClNO3
Exact Mass 333.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfQjlaML9aC
Name 3H-Benz[e]indole-3-carboxylic acid, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, (R)-
CAS Registry Number 130008-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20ClNO3
InChI InChI=1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m0/s1
InChIKey DGPQGWRHSMFTSW-NSHDSACASA-N
Molecular Weight 333.815 g/mol
SMILES Oc1cc2N(C(OC(C)(C)C)=O)C[C@](CCl)(c2c2ccccc12)[H]
SPLASH splash10-004i-0090000000-1c54546b751d1bb0d268
Source of Spectrum J-55-5830-16
Synonyms (+-)-(1R*)-3-(t-Butyloxycarbonyl)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benz[e]indole tert-Butyl (1R)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
Wiley ID 1330198