For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester

View entire compound with spectra: 1 MS (GC)

(3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 9jJhM6jiKxN
InChI InChI=1S/C23H32ClNO4/c1-15(2)28-18-10-9-16(14-19(18)27-6)23-11-7-8-17(24)20(23)25(13-12-23)21(26)29-22(3,4)5/h8-10,14-15,20H,7,11-13H2,1-6H3/t20-,23-/m0/s1
InChIKey FOWNUOPMMGCMEH-REWPJTCUSA-N
Mol Weight 422.0 g/mol
Molecular Formula C23H32ClNO4
Exact Mass 421.201986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6oAyQpEEJr6
Name (3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32ClNO4
InChI InChI=1S/C23H32ClNO4/c1-15(2)28-18-10-9-16(14-19(18)27-6)23-11-7-8-17(24)20(23)25(13-12-23)21(26)29-22(3,4)5/h8-10,14-15,20H,7,11-13H2,1-6H3/t20-,23-/m0/s1
InChIKey FOWNUOPMMGCMEH-REWPJTCUSA-N
Molecular Weight 421.965 g/mol
SMILES C(N1[C@@]2([C@@](c3cc(OC)c(cc3)OC(C)C)(CCC=C2Cl)CC1)[H])(OC(C)(C)C)=O
SPLASH splash10-05fr-6059700000-ba614cabf681669fe25e
Source of Spectrum K-2001-2004-14
Synonyms (3aS,7aR)-7-chloro-3a-(4-isopropoxy-3-methoxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylic acid tert-butyl ester tert-Butyl (3aS,7aR)-7-chloranyl-3a-(3-methoxy-4-propan-2-yloxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate tert-Butyl (3aS,7aR)-7-chloro-3a-(3-methoxy-4-propan-2-yloxyphenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate tert-Butyl (3aS,7aR)-7-chloro-3a-(4-isopropoxy-3-methoxy-phenyl)-3,4,5,7a-tetrahydro-2H-indole-1-carboxylate
Wiley ID 1579537