| SpectraBase Spectrum ID |
xu48pwkRZz |
| Name |
Pregnelone carbonitrile, 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 |
413.275006033 u |
| Formula |
C25H39NO2Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C25H39NO2Si/c1-16(27)23-17(15-26)13-22-20-8-7-18-14-19(28-29(4,5)6)9-11-24(18,2)21(20)10-12-25(22,23)3/h7,17,19-23H,8-14H2,1-6H3 |
| InChIKey |
KOHSPQLMOICGHK-UHFFFAOYSA-N |
| Molecular Weight |
413.677 g/mol |
| Nominal Mass |
413 u |
| Number of Peaks |
384 |
| SMILES |
C(C1C(CC2C1(CCC1C2CC=C2C1(CCC(C2)O[Si](C)(C)C)C)C)C#N)(C)=O |
| SPLASH |
splash10-056r-5915000000-a751203bfa11b6a11cc6 |
| Source |
Cayman Chemical |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Pregnenolone carbonitrile, mono-TMS |
| Wiley ID |
VI001816 |
