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

*Links on SpectraBase are not permalinks.
2,3,6-Pyridinetricarboxylic acid, 4-(2-bromophenyl)-5-methyl-, 2,6-dimethyl ester
SpectraBase Compound ID 77ANZSZcISK
InChI InChI=1S/C17H14BrNO6/c1-8-11(9-6-4-5-7-10(9)18)12(15(20)21)14(17(23)25-3)19-13(8)16(22)24-2/h4-7H,1-3H3,(H,20,21)
InChIKey MOEILYBYOUSRSQ-UHFFFAOYSA-N
Mol Weight 408.2 g/mol
Molecular Formula C17H14BrNO6
Exact Mass 407.00045 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 IBCugiY8oAF
Name 2,3,6-Pyridinetricarboxylic acid, 4-(2-bromophenyl)-5-methyl-, 2,6-dimethyl ester
CAS Registry Number 99573-14-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14BrNO6
InChI InChI=1S/C17H14BrNO6/c1-8-11(9-6-4-5-7-10(9)18)12(15(20)21)14(17(23)25-3)19-13(8)16(22)24-2/h4-7H,1-3H3,(H,20,21)
InChIKey MOEILYBYOUSRSQ-UHFFFAOYSA-N
Molecular Weight 408.204 g/mol
SMILES OC(c1c(nc(c(c1-c1c(Br)cccc1)C)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0005-0963000000-4f119e40e4e71d55fee1
Source of Spectrum J-50-5787-9
Synonyms 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methylnicotinic acid 4-(2-Bromophenyl)-3-carboxy-2,6-bis(methoxycarbonyl)-5-methylpyridine 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-3-pyridinecarboxylic acid 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methylpyridine-3-carboxylic acid 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-pyridine-3-carboxylic acid
Wiley ID 1372498