| SpectraBase Spectrum ID |
G7zJbBdB6s0 |
| Name |
3-(Benzylaminomethylene)-6-methoxyheptane-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-12(20-3)9-16(19)15(13(2)18)11-17-10-14-7-5-4-6-8-14/h4-8,11-12,17H,9-10H2,1-3H3/b15-11+ |
| InChIKey |
JKVVIUYSLDBYNJ-RVDMUPIBSA-N |
| Molecular Weight |
275.348 g/mol |
| SMILES |
C(\C(C(=O)C)=C\NCC=1C=CC=CC1)(CC(OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865562 |
