| SpectraBase Spectrum ID |
10vJnczHLE |
| Name |
Sclarene |
| CAS Registry Number |
511-02-4 |
| 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 |
272.250401030 u |
| Formula |
C20H32 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m1/s1 |
| InChIKey |
KYLKKZSVPLUGCC-GGPKGHCWSA-N |
| Molecular Weight |
272.476 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
166 |
| SMILES |
[C@]12(C)[C@](CCC([C@]2(CCC(C=C)=C)[H])=C)(C(C)(C)CCC1)[H] |
| SPLASH |
splash10-052f-8920000000-95d301d25691e6341c7f |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001232 |
