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

*Links on SpectraBase are not permalinks.
6-Methoxy-3-(carboxymethyl)-2,3-dihydro-1H-indole-1-carboxylic acid, 1-(2,2,2-trichloro-1,1-dimethylethyl ester)
SpectraBase Compound ID HWnR147F5OU
InChI InChI=1S/C16H18Cl3NO5/c1-15(2,16(17,18)19)25-14(23)20-8-9(6-13(21)22)11-5-4-10(24-3)7-12(11)20/h4-5,7,9H,6,8H2,1-3H3,(H,21,22)
InChIKey ZOSWZDVEZFNERE-UHFFFAOYSA-N
Mol Weight 410.68 g/mol
Molecular Formula C16H18Cl3NO5
Exact Mass 409.025056 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 AcHYlqBLhBD
Name 6-Methoxy-3-(carboxymethyl)-2,3-dihydro-1H-indole-1-carboxylic acid, 1-(2,2,2-trichloro-1,1-dimethylethyl ester)
CAS Registry Number 123380-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18Cl3NO5
InChI InChI=1S/C16H18Cl3NO5/c1-15(2,16(17,18)19)25-14(23)20-8-9(6-13(21)22)11-5-4-10(24-3)7-12(11)20/h4-5,7,9H,6,8H2,1-3H3,(H,21,22)
InChIKey ZOSWZDVEZFNERE-UHFFFAOYSA-N
Molecular Weight 410.681 g/mol
SMILES OC(CC1CN(C(OC(C(Cl)(Cl)Cl)(C)C)=O)c2c1ccc(c2)OC)=O
SPLASH splash10-0007-1900100000-a851dde1c54b62a37b08
Source of Spectrum J-54-5987-12
Synonyms {6-methoxy-1-[(2,2,2-trichloro-1,1-dimethylethoxy)carbonyl]-2,3-dihydro-1H-indol-3-yl}acetic acid
Wiley ID 1373254