SpectraBase Spectrum ID |
JdMLlKtGIJQ |
Name |
6-Heptenoic acid, 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]-, methyl ester |
CAS Registry Number |
127949-69-3 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H22N2O4 |
InChI |
InChI=1S/C16H22N2O4/c1-4-5-6-7-14(16(21)22-3)18-9-13-12(10-19)8-17-11(2)15(13)20/h4,8-9,14,19-20H,1,5-7,10H2,2-3H3/b18-9+ |
InChIKey |
DTPVMNNKTMMSOQ-GIJQJNRQSA-N |
Molecular Weight |
306.362 g/mol |
SMILES |
OCc1c(c(c(nc1)C)O)\C=N\C(C(=O)OC)CCCC=C |
SPLASH |
splash10-0002-9502000000-119ccbcb25b47cf9220d |
Source of Spectrum |
F-45-7584-8 |
Synonyms |
Methyl 2-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)-6-heptenoate
Methyl 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]amino]- hept-6-enoate |
Wiley ID |
1307970 |