![Butanamide, 4-chloro-N-[(3.beta.)-cholest-5-en-3-yl]-](/api/spectrum/F1XrGAYNeWT/structure.png?h=300&w=458 "Butanamide, 4-chloro-N-[(3.beta.)-cholest-5-en-3-yl]-")
| SpectraBase Compound ID | 75ajILqTMdc |
|---|---|
| InChI | InChI=1S/C31H52ClNO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(33-29(34)10-7-19-32)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,33,34)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | MFEKHRAFTOAMJX-PHZPAERESA-N |
| Mol Weight | 490.2 g/mol |
| Molecular Formula | C31H52ClNO |
| Exact Mass | 489.373743 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F1XrGAYNeWT |
|---|---|
| Name | Butanamide, 4-chloro-N-[(3.beta.)-cholest-5-en-3-yl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.373742997 u |
| Formula | C31H52ClNO |
| InChI | InChI=1S/C31H52ClNO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(33-29(34)10-7-19-32)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,33,34)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | MFEKHRAFTOAMJX-PHZPAERESA-N |
| Molecular Weight | 490.216 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](NC(=O)CCCCl)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827546 |