| SpectraBase Compound ID | 9ynmUcZD2g0 |
|---|---|
| InChI | InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | OTVRYZXVVMZHHW-DPAQBDIFSA-N |
| Mol Weight | 405.1 g/mol |
| Molecular Formula | C27H45Cl |
| Exact Mass | 404.320979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J3JcWezbVzk |
|---|---|
| Name | 3-BETA-CHLORO-CHOLEST-5-ENE |
| CAS Registry Number | 910-31-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45Cl |
| InChI | InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | OTVRYZXVVMZHHW-DPAQBDIFSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 405.107 g/mol |
| Solvent | CCl4 |
| Source File Reference | UNIW3371 |