| SpectraBase Spectrum ID |
IH35lntCcZR |
| Name |
Benzoic acid, 3-[[(2E)-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.199093730 u |
| Formula |
C23H27NO3 |
| InChI |
InChI=1S/C23H27NO3/c1-4-5-15-27-23(26)20-7-6-8-21(16-20)24-22(25)14-11-18-9-12-19(13-10-18)17(2)3/h6-14,16-17H,4-5,15H2,1-3H3,(H,24,25)/b14-11+ |
| InChIKey |
PBKFXFITFNOZRM-SDNWHVSQSA-N |
| Molecular Weight |
365.473 g/mol |
| SMILES |
N(C(\C=C\C1=CC=C(C=C1)C(C)C)=O)C=1C=C(C(=O)OCCCC)C=CC1 |
![benzoic acid, 3-[[(2E)-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-, butyl ester](/api/spectrum/IH35lntCcZR/structure.png?h=300&w=458 "benzoic acid, 3-[[(2E)-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-, butyl ester")
