| SpectraBase Spectrum ID |
3zHFVmtX8QK |
| Name |
Dehydrocholic acid, mono-TMS |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
474.280150982 u |
| Formula |
C27H42O5Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C27H42O5Si/c1-16(7-10-24(31)32-33(4,5)6)19-8-9-20-25-21(15-23(30)27(19,20)3)26(2)12-11-18(28)13-17(26)14-22(25)29/h16-17,19-21,25H,7-15H2,1-6H3 |
| InChIKey |
JVZFQIIYBGFJML-UHFFFAOYSA-N |
| Molecular Weight |
474.713 g/mol |
| Nominal Mass |
474 u |
| Number of Peaks |
402 |
| SMILES |
C1(C2C(C3(C(C1)CC(CC3)=O)C)CC(C1(C2CCC1C(CCC(=O)O[Si](C)(C)C)C)C)=O)=O |
| SPLASH |
splash10-0630-6952100000-27bfd3969061f5763cf0 |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000450 |
