| SpectraBase Spectrum ID |
EIvIkn6NoQX |
| Name |
Cyclohexanol, 2-[(4-nitrophenyl)thio]-, acetate (ester), trans- |
| Alternate Name(s) |
(1R,2R)-2-[(4-nitrophenyl)sulfanyl]cyclohexyl acetate
trans-2-acetoxycyclohexyl 4-nitrophenyl sulphide |
| CAS Registry Number |
81576-35-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17NO4S |
| InChI |
InChI=1S/C14H17NO4S/c1-10(16)19-13-4-2-3-5-14(13)20-12-8-6-11(7-9-12)15(17)18/h6-9,13-14H,2-5H2,1H3/t13-,14-/m1/s1 |
| InChIKey |
NKCVZSPHJAZDTA-ZIAGYGMSSA-N |
| Molecular Weight |
295.353 g/mol |
| SMILES |
c1(N(=O)=O)ccc(S[C@]2([C@](OC(=O)C)(CCCC2)[H])[H])cc1 |
| SPLASH |
splash10-000i-0090000000-77a93a9e61e98c6d829d |
| Source of Spectrum |
KC-1982-401-0 |
| Wiley ID |
1298045 |
![Cyclohexanol, 2-[(4-nitrophenyl)thio]-, acetate (ester), trans-](/api/spectrum/EIvIkn6NoQX/structure.png?h=300&w=458 "Cyclohexanol, 2-[(4-nitrophenyl)thio]-, acetate (ester), trans-")
