| SpectraBase Spectrum ID |
4qG1WGVPHeI |
| Name |
Succinic acid, 2-methyl-3-nitrobenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.152537459 u |
| Formula |
C17H23NO6 |
| InChI |
InChI=1S/C17H23NO6/c1-3-4-5-11-23-16(19)9-10-17(20)24-12-14-7-6-8-15(13(14)2)18(21)22/h6-8H,3-5,9-12H2,1-2H3 |
| InChIKey |
JAOTUGMPCUYTIG-UHFFFAOYSA-N |
| Molecular Weight |
337.372 g/mol |
| SMILES |
C1=CC=C(C(=C1N(=O)=O)C)COC(=O)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805177 |
