| SpectraBase Spectrum ID |
7dfufIb5jOM |
| Name |
Isonipecotic acid, N-(3-methylbenzoyl)-, pentadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.355594374 u |
| Formula |
C29H47NO3 |
| InChI |
InChI=1S/C29H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-29(32)26-19-21-30(22-20-26)28(31)27-18-16-17-25(2)24-27/h16-18,24,26H,3-15,19-23H2,1-2H3 |
| InChIKey |
LDONZYQHECRNTM-UHFFFAOYSA-N |
| Molecular Weight |
457.699 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC(=CC=C2)C)CC1)=O |
