| SpectraBase Compound ID | DP3bkNToEuS |
|---|---|
| InChI | InChI=1S/C18H25ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h10-12,14,16,21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1 |
| InChIKey | OZDDFAQVVGFDJP-YGRHGMIBSA-N |
| Mol Weight | 308.85 g/mol |
| Molecular Formula | C18H25ClO2 |
| Exact Mass | 308.154308 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BjTxxAAVLOZ |
|---|---|
| Name | 4-Chloro-19-nortestosterone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.154307743 u |
| Formula | C18H25ClO2 |
| InChI | InChI=1S/C18H25ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h10-12,14,16,21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1 |
| InChIKey | OZDDFAQVVGFDJP-YGRHGMIBSA-N |
| SMILES | O[C@@]1([C@]2(CC[C@@]3([C@]4(CCC(C(=C4CC[C@]3([C@@]2(CC1)[H])[H])Cl)=O)[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.907278 |