| SpectraBase Spectrum ID |
C7WYG6G84Qu |
| Name |
Pimelic acid, 5-chloro-2-nitrobenzyl 4-methyl-2-pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.160515320 u |
| Formula |
C20H28ClNO6 |
| InChI |
InChI=1S/C20H28ClNO6/c1-14(2)11-15(3)28-20(24)8-6-4-5-7-19(23)27-13-16-12-17(21)9-10-18(16)22(25)26/h9-10,12,14-15H,4-8,11,13H2,1-3H3 |
| InChIKey |
VGYKYVHGHNLMEZ-UHFFFAOYSA-N |
| Molecular Weight |
413.898 g/mol |
| SMILES |
C(OCC=1C=C(C=CC1N(=O)=O)Cl)(=O)CCCCCC(OC(CC(C)C)C)=O |
