| SpectraBase Spectrum ID |
3ycdTMT2LBT |
| Name |
(2S*,9R*)-2-(3,5-Dinitrobenzoyloxymethyl)-9-pentyloxonane |
| Alternate Name(s) |
[(2S,9R)-9-pentyloxonanyl]methyl 3,5-dinitrobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30N2O7 |
| InChI |
InChI=1S/C21H30N2O7/c1-2-3-6-9-19-10-7-4-5-8-11-20(30-19)15-29-21(24)16-12-17(22(25)26)14-18(13-16)23(27)28/h12-14,19-20H,2-11,15H2,1H3/t19-,20+/m1/s1 |
| InChIKey |
WUXLWRXPVKLKKT-UXHICEINSA-N |
| Molecular Weight |
422.478 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@]1(O[C@](CCCCC)(CCCCCC1)[H])[H])=O |
| SPLASH |
splash10-0a4i-9000000000-b2333b0ca4c4cd359915 |
| Source of Spectrum |
KC-0-92-0 |
| Wiley ID |
775850 |
