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

*Links on SpectraBase are not permalinks.
1H-Indole-1-carboxylic acid, 3-(2-nitropropyl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID FcZ4rumRcKh
InChI InChI=1S/C16H20N2O4/c1-11(18(20)21)9-12-10-17(15(19)22-16(2,3)4)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3
InChIKey ZISFIJRSZYAFBP-UHFFFAOYSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 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 KYeCW2vI4gT
Name 1H-Indole-1-carboxylic acid, 3-(2-nitropropyl)-, 1,1-dimethylethyl ester
Alternate Name(s) N(1)[(tert-butyloxy)carbonyl]-3-(2-nitropropyl)indole tert-Butyl 3-(2-nitropropyl)-1H-indole-1-carboxylate
CAS Registry Number 129168-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-11(18(20)21)9-12-10-17(15(19)22-16(2,3)4)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3
InChIKey ZISFIJRSZYAFBP-UHFFFAOYSA-N
Molecular Weight 304.346 g/mol
SMILES C([n]1cc(CC(N(=O)=O)C)c2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9443000000-843e96083234f25be662
Source of Spectrum F-46-839-24
Wiley ID 1306343