| SpectraBase Compound ID | Z2UM4ITo3n |
|---|---|
| InChI | InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1 |
| InChIKey | SXXHVPYRDFJKPG-VXJLCZPPSA-N |
| Mol Weight | 452.12 g/mol |
| Molecular Formula | C27H46ClNO2 |
| Exact Mass | 451.321707 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 2NLFTsBAdB3 |
|---|---|
| Name | Tomatidine HCl |
| Source of Sample | Sigma-Aldrich Inc. |
| Catalog Number | T2909 |
| CAS Registry Number | 6192-62-7 |
| Compound Type | Pure |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46ClNO2 |
| InChI | InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1 |
| InChIKey | SXXHVPYRDFJKPG-VXJLCZPPSA-N |
| Instrument Name | Bio-Rad FTS |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat (DuraSamplIR II) |