| SpectraBase Spectrum ID |
FBG5gnkb4OM |
| Name |
Pregnenolone carbonitrile |
| CAS Registry Number |
1434-54-4 |
| 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 |
341.235479240 u |
| Formula |
C22H31NO2 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey |
VSBHRRMYCDQLJF-ZDNYCOCVSA-N |
| Molecular Weight |
341.495 g/mol |
| Nominal Mass |
341 u |
| Number of Peaks |
378 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@]([C@@](C4)(C#N)[H])(C(=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-052f-6933000000-7b1816f23c37ea176dae |
| Source |
authentic preparation, Cayman Chemicals |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001796 |
