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Benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid, 1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methyl-, 1,1-dimethylethyl ester, (R)-

View entire compound with spectra: 1 MS (GC)

Benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid, 1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methyl-, 1,1-dimethylethyl ester, (R)-
SpectraBase Compound ID 455VXf8OUC4
InChI InChI=1S/C17H21ClN2O3/c1-9-7-19-15-12(21)5-11-14(13(9)15)10(6-18)8-20(11)16(22)23-17(2,3)4/h5,7,10,19,21H,6,8H2,1-4H3/t10-/m0/s1
InChIKey KAMCEZJGWDQEME-JTQLQIEISA-N
Mol Weight 336.82 g/mol
Molecular Formula C17H21ClN2O3
Exact Mass 336.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiO3TZ4r7Wh
Name Benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid, 1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methyl-, 1,1-dimethylethyl ester, (R)-
CAS Registry Number 114996-71-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClN2O3
InChI InChI=1S/C17H21ClN2O3/c1-9-7-19-15-12(21)5-11-14(13(9)15)10(6-18)8-20(11)16(22)23-17(2,3)4/h5,7,10,19,21H,6,8H2,1-4H3/t10-/m0/s1
InChIKey KAMCEZJGWDQEME-JTQLQIEISA-N
Molecular Weight 336.819 g/mol
SMILES [nH]1cc(c2c1c(cc1c2[C@](CN1C(OC(C)(C)C)=O)(CCl)[H])O)C
SPLASH splash10-0a4i-9010000000-9fa08c6288ad74fc476f
Source of Spectrum C-110-4806-0
Synonyms (1R)-3-[(tert-butyloxy)carbonyl]-1-(chloromethyl)-5-hydroxy-8-methyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole tert-Butyl (1R)-1-(chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxylate
Wiley ID 1332248