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

*Links on SpectraBase are not permalinks.
Diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-(formylamino)malonate
SpectraBase Compound ID FKjMKvFHTHI
InChI InChI=1S/C17H19BrN2O5/c1-3-24-15(22)17(20-10-21,16(23)25-4-2)8-11-9-19-14-6-5-12(18)7-13(11)14/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,20,21)
InChIKey TVLOHRNVIOAVJP-UHFFFAOYSA-N
Mol Weight 411.25 g/mol
Molecular Formula C17H19BrN2O5
Exact Mass 410.047735 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 KttIdscsRcu
Name Diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-(formylamino)malonate
CAS Registry Number 15589-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrN2O5
InChI InChI=1S/C17H19BrN2O5/c1-3-24-15(22)17(20-10-21,16(23)25-4-2)8-11-9-19-14-6-5-12(18)7-13(11)14/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,20,21)
InChIKey TVLOHRNVIOAVJP-UHFFFAOYSA-N
Molecular Weight 411.252 g/mol
SMILES [nH]1cc(CC(C(OCC)=O)(C(=O)OCC)NC=O)c2cc(Br)ccc12
SPLASH splash10-0bt9-1490000000-e721c82042b30ea32885
Source of Spectrum AD-0-2532-0
Synonyms 2-[(5-bromo-1H-indol-3-yl)methyl]-2-formamido-malonic acid diethyl ester 2-[(5-bromo-1H-indol-3-yl)methyl]-2-formamidopropanedioic acid diethyl ester Diethyl 2-[(5-bromanyl-1H-indol-3-yl)methyl]-2-formamido-propanedioate Diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-formamido-propanedioate Propanedioic acid, 2-(5-bromo-3-indolyl)-2-formylamino-, diethyl ester
Wiley ID 1427294