SpectraBase Spectrum ID |
IXNDQn8twn1 |
Name |
4-(N-Methylamino)-6-phenylhex-3-en-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
203.131014170 u |
Formula |
C13H17NO |
InChI |
InChI=1S/C13H17NO/c1-11(15)10-13(14-2)9-8-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3/b13-10- |
InChIKey |
YYTNSUCUWYQGQY-RAXLEYEMSA-N |
Molecular Weight |
203.285 g/mol |
SMILES |
CN\C(=C/C(=O)C)CCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95095 |