| SpectraBase Spectrum ID |
KFguLfeOxnx |
| Name |
Glutaric acid (4,5-dimethoxy-2-nitrobenzyl) ester (4-chloro-2-nitrobenzyl-a,a-D2) ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19D2ClN2O10 |
| InChI |
InChI=1S/C21H21ClN2O10/c1-31-18-8-14(17(24(29)30)10-19(18)32-2)12-34-21(26)5-3-4-20(25)33-11-13-6-7-15(22)9-16(13)23(27)28/h6-10H,3-5,11-12H2,1-2H3/i11D2 |
| InChIKey |
YJNCLBSITSBCCM-ZWGOZCLVSA-N |
| Molecular Weight |
498.868 g/mol |
| SMILES |
C([D])([D])(OC(CCCC(OCc1c(cc(OC)c(OC)c1)[N+](=O)[O-])=O)=O)c1c(cc(cc1)Cl)[N+](=O)[O-] |
| SPLASH |
splash10-0hti-0900000000-af29012d1a8abebef610 |
| Source of Spectrum |
A1-9-2649/SMS6-3b |
| Wiley ID |
1758202 |
