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7-Chloro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester

View entire compound with spectra: 1 MS (GC)

7-Chloro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID E5QBg6nH3TD
InChI InChI=1S/C13H16ClNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
InChIKey XVXCMEMYOWOUQM-UHFFFAOYSA-N
Mol Weight 253.73 g/mol
Molecular Formula C13H16ClNO2
Exact Mass 253.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCMTkf9OVWC
Name 7-Chloro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO2
InChI InChI=1S/C13H16ClNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
InChIKey XVXCMEMYOWOUQM-UHFFFAOYSA-N
Molecular Weight 253.729 g/mol
SMILES C(N1c2c(cccc2Cl)CC1)(OC(C)(C)C)=O
SPLASH splash10-0zfr-5920000000-620ffb743e7c218ee12f
Source of Spectrum H1-34-1036-2
Synonyms 7-Chloroindoline-1-carboxylic acid tert-butyl ester tert-Butyl 7-chloranyl-2,3-dihydroindole-1-carboxylate tert-Butyl 7-chloro-2,3-dihydroindole-1-carboxylate tert-Butyl 7-chloroindoline-1-carboxylate
Wiley ID 754616