| SpectraBase Spectrum ID |
GbD6XFnUZkX |
| Name |
1-{4-[(1Z)-3-(Benzylamino)-2-(3-methoxyphenyl)-3-methylbut-1-en-1-yl]phenyl}ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.219829176 u |
| Formula |
C27H29NO2 |
| InChI |
InChI=1S/C27H29NO2/c1-20(29)23-15-13-21(14-16-23)17-26(24-11-8-12-25(18-24)30-4)27(2,3)28-19-22-9-6-5-7-10-22/h5-18,28H,19H2,1-4H3/b26-17- |
| InChIKey |
QWIHGLRIQIWBGE-ONUIUJJFSA-N |
| Molecular Weight |
399.534 g/mol |
| SMILES |
C1(\C=C/(C(C)(C)NCC=2C=CC=CC2)C=2C=CC=C(C2)OC)=CC=C(C=C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890524 |
![1-{4-[(1Z)-3-(benzylamino)-2-(3-methoxyphenyl)-3-methylbut-1-en-1-yl]phenyl}ethanone](/api/spectrum/GbD6XFnUZkX/structure.png?h=300&w=458 "1-{4-[(1Z)-3-(benzylamino)-2-(3-methoxyphenyl)-3-methylbut-1-en-1-yl]phenyl}ethanone")
