| SpectraBase Spectrum ID |
E5baiOaafe |
| Name |
(E)-3-(Veratrylamino)acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-16-11-5-4-10(8-12(11)17-2)9-14-7-6-13(15)18-3/h4-8,14H,9H2,1-3H3/b7-6+ |
| InChIKey |
HJHIIMPAYLDGHL-VOTSOKGWSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C(\C=C\NCC=1C=C(C(=CC1)OC)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911643 |
