| SpectraBase Spectrum ID |
FWSncJyx4GG |
| Name |
(1S, 2R, 5R, 6S, 9R)-2,6,10,10-Tetramethyltricyclo[7.2.0.0(2,5)]undecan-6-yl-3',5'-Dinitrobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O6 |
| InChI |
InChI=1S/C22H28N2O6/c1-20(2)12-17-16(20)5-8-22(4,18-6-7-21(17,18)3)30-19(25)13-9-14(23(26)27)11-15(10-13)24(28)29/h9-11,16-18H,5-8,12H2,1-4H3/t16-,17+,18-,21-,22+/m1/s1 |
| InChIKey |
XIAVVSDBNFQKOO-NYQDPPIKSA-N |
| Molecular Weight |
416.474 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](CC[C@@]([C@]2([H])CC1)(OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)C)([H])C(C3)(C)C)[H])C |
| SPLASH |
splash10-0006-9000000000-799ce55792fe80ec19a0 |
| Source of Spectrum |
C-117-9189-33 |
| Synonyms |
3',5'-Dinitrobenzoic acid (1S,2R,5R,6S,9R)-2,6,10,10-Tetramethyltricyclo[7.2.0.0(2,5)]]undecane-6-yl ester |
| Wiley ID |
759242 |
![(1S, 2R, 5R, 6S, 9R)-2,6,10,10-Tetramethyltricyclo[7.2.0.0(2,5)]undecan-6-yl-3',5'-Dinitrobenzoate](/api/spectrum/FWSncJyx4GG/structure.png?h=300&w=458 "(1S, 2R, 5R, 6S, 9R)-2,6,10,10-Tetramethyltricyclo[7.2.0.0(2,5)]undecan-6-yl-3',5'-Dinitrobenzoate")
