| SpectraBase Spectrum ID |
Jgm4Kk46Zm8 |
| Name |
N-(3-Methoxy-4,5-methylenedioxydihydrocinnamoyl)-delta(3)-pyridin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.110672646 u |
| Formula |
C16H17NO5 |
| InChI |
InChI=1S/C16H17NO5/c1-20-12-8-11(9-13-16(12)22-10-21-13)5-6-15(19)17-7-3-2-4-14(17)18/h2,4,8-9H,3,5-7,10H2,1H3 |
| InChIKey |
FVDNFBPSWOROKM-UHFFFAOYSA-N |
| SMILES |
C1(=O)C=CCCN1C(=O)CCC1=CC(OC)=C2OCOC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958537 |