SpectraBase Spectrum ID |
BsSAobgJWe0 |
Name |
1H-Pyrrole-3-acetic acid, 5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,5-dihydro-4-methyl-2-oxo-, (Z)- |
CAS Registry Number |
114605-22-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H20N2O3 |
InChI |
InChI=1S/C16H20N2O3/c1-5-11-8(2)13(17-10(11)4)7-14-9(3)12(6-15(19)20)16(21)18-14/h7,17H,5-6H2,1-4H3,(H,18,21)(H,19,20)/b14-7- |
InChIKey |
YJKGBCMXSVPCLT-AUWJEWJLSA-N |
Molecular Weight |
288.347 g/mol |
SMILES |
N1\C(C(=C(CC(=O)O)C1=O)C)=C/c1[nH]c(c(c1C)CC)C |
SPLASH |
splash10-01rl-0190000000-849123a14f3016e8b07f |
Source of Spectrum |
AH-118-980-3 |
Synonyms |
4-Hydroxycarbonyl-4'-ethyl 3,3',5'-trimethyl-2,2'-pyrromethenone
{(5Z)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl}acetic acid |
Wiley ID |
1291747 |