| SpectraBase Spectrum ID |
GBUVbneHU6Y |
| Name |
1,3-Cyclohexanediol, 2,5-dimethyl-2-nitro-, monoacetate (ester), [1s-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]- |
| CAS Registry Number |
114454-86-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H17NO5 |
| InChI |
InChI=1S/C10H17NO5/c1-6-4-8(13)10(3,11(14)15)9(5-6)16-7(2)12/h6,8-9,13H,4-5H2,1-3H3 |
| InChIKey |
MUILTVUOQVGZNY-UHFFFAOYSA-N |
| Molecular Weight |
231.248 g/mol |
| SMILES |
OC1C(C(CC(C1)C)OC(=O)C)(C)N(=O)=O |
| SPLASH |
splash10-0006-9200000000-72e75ade10ac1e056e2b |
| Synonyms |
3-Hydroxy-2,5-dimethyl-2-nitrocyclohexyl acetate
(2,5-dimethyl-2-nitro-3-oxidanyl-cyclohexyl) ethanoate
Acetic acid (3-hydroxy-2,5-dimethyl-2-nitro-cyclohexyl) ester
Acetic acid (3-hydroxy-2,5-dimethyl-2-nitrocyclohexyl) ester
(3-hydroxy-2,5-dimethyl-2-nitrocyclohexyl) acetate |
| Wiley ID |
1486105 |
![1,3-CYCLOHEXANEDIOL, 2,5-DIMETHYL-2-NITRO-, MONOACETATE (ESTER), [1S-(1alpha,2beta,3alpha,5alpha)]-](/api/spectrum/GBUVbneHU6Y/structure.png?h=300&w=458 "1,3-CYCLOHEXANEDIOL, 2,5-DIMETHYL-2-NITRO-, MONOACETATE (ESTER), [1S-(1alpha,2beta,3alpha,5alpha)]-")
