| SpectraBase Spectrum ID |
1gIoSndFopx |
| Name |
Glutaric acid, butyl 3,5-dinitro-2-methylbenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.137615668 u |
| Formula |
C17H22N2O8 |
| InChI |
InChI=1S/C17H22N2O8/c1-3-4-8-26-16(20)6-5-7-17(21)27-11-13-9-14(18(22)23)10-15(12(13)2)19(24)25/h9-10H,3-8,11H2,1-2H3 |
| InChIKey |
KVPCSOJVZSGBMV-UHFFFAOYSA-N |
| Molecular Weight |
382.369 g/mol |
| SMILES |
C(OCC1=C(C)C(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCCC)=O |
