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1H-Indole-1-carboxylic acid, 3-(chloromethyl)-2,3-dihydro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID Er7lyXR9pZG
InChI InChI=1S/C21H24ClNO3/c1-21(2,3)26-20(24)23-13-16(12-22)18-10-9-17(11-19(18)23)25-14-15-7-5-4-6-8-15/h4-11,16H,12-14H2,1-3H3
InChIKey ZDOLDTVUKCLTQV-UHFFFAOYSA-N
Mol Weight 373.88 g/mol
Molecular Formula C21H24ClNO3
Exact Mass 373.144471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYIk5meh4iv
Name 1H-Indole-1-carboxylic acid, 3-(chloromethyl)-2,3-dihydro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester, (.+-.)-
CAS Registry Number 119880-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClNO3
InChI InChI=1S/C21H24ClNO3/c1-21(2,3)26-20(24)23-13-16(12-22)18-10-9-17(11-19(18)23)25-14-15-7-5-4-6-8-15/h4-11,16H,12-14H2,1-3H3
InChIKey ZDOLDTVUKCLTQV-UHFFFAOYSA-N
Molecular Weight 373.880 g/mol
SMILES c12N(CC(c2ccc(c1)OCc1ccccc1)CCl)C(OC(C)(C)C)=O
SPLASH splash10-0aos-9004000000-52fcd1d8c950afc6a9fc
Source of Spectrum C-112-5238-0
Synonyms 1-[(t-butoxy)carbonyl]-3-(chloromethyl)-6-(benzyloxy)indoline tert-Butyl 6-(benzyloxy)-3-(chloromethyl)-1-indolinecarboxylate
Wiley ID 1356120