| SpectraBase Spectrum ID |
3yYZEP2Cu5J |
| Name |
Cyclohexanone, 2,6-dimethyl-2-nitro-, trans- |
| Alternate Name(s) |
(2R,6S)-2,6-dimethyl-2-nitrocyclohexanone
cis-2,6-dimethyl-2-nitrocyclohexanone |
| CAS Registry Number |
80594-89-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H13NO3 |
| InChI |
InChI=1S/C8H13NO3/c1-6-4-3-5-8(2,7(6)10)9(11)12/h6H,3-5H2,1-2H3/t6-,8+/m0/s1 |
| InChIKey |
KXUNAQQYLWACOJ-POYBYMJQSA-N |
| Molecular Weight |
171.196 g/mol |
| SMILES |
[C@@]1(N(=O)=O)(C(=O)[C@@](C)(CCC1)[H])C |
| SPLASH |
splash10-0a4i-9000000000-ba148cbfe273abd6097e |
| Source of Spectrum |
O-21-767-4 |
| Wiley ID |
1167880 |
