| SpectraBase Spectrum ID |
DO1VtjpUHrc |
| Name |
(3S,4S)-3-(8-Methylnonyl)-4-[(2R)-2-oxidanylnonyl]oxetan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.313395209 u |
| Formula |
C22H42O3 |
| InChI |
InChI=1S/C22H42O3/c1-4-5-6-8-12-15-19(23)17-21-20(22(24)25-21)16-13-10-7-9-11-14-18(2)3/h18-21,23H,4-17H2,1-3H3/t19-,20+,21+/m1/s1 |
| InChIKey |
QUYKOGHNCDRUOE-HKBOAZHASA-N |
| Molecular Weight |
354.575 g/mol |
| SMILES |
C1(O[C@]([C@@]1(CCCCCCCC(C)C)[H])(C[C@](O)(CCCCCCC)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937491 |
![(3S,4S)-3-(8-methylnonyl)-4-[(2R)-2-oxidanylnonyl]oxetan-2-one](/api/spectrum/DO1VtjpUHrc/structure.png?h=300&w=458 "(3S,4S)-3-(8-methylnonyl)-4-[(2R)-2-oxidanylnonyl]oxetan-2-one")
