| SpectraBase Spectrum ID |
EQCgKUrA2aN |
| Name |
(3S,3aS,5R,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl 3,5-dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O6 |
| InChI |
InChI=1S/C22H28N2O6/c1-13-5-6-17-20(2,3)21(4)7-8-22(13,17)12-18(21)30-19(25)14-9-15(23(26)27)11-16(10-14)24(28)29/h9-11,13,17-18H,5-8,12H2,1-4H3/t13-,17-,18-,21-,22+/m0/s1 |
| InChIKey |
WLGPQRLRHMGOPE-QJQVJSOYSA-N |
| Molecular Weight |
416.474 g/mol |
| SMILES |
C1[C@@]23[C@@](C)(CC[C@]2(C([C@@]([C@](C3)(OC(c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])=O)[H])(C)C1)(C)C)[H])[H] |
| SPLASH |
splash10-0fr2-0920000000-d29a64da011355f0b5c4 |
| Source of Spectrum |
CAJ-7-676/SM10-10_1 |
| Wiley ID |
1773190 |
