| SpectraBase Spectrum ID |
6G1LCCCHmfD |
| Name |
Spathulenol |
| CAS Registry Number |
6750-60-3 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1 |
| InChIKey |
FRMCCTDTYSRUBE-BGPZULBFSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
169 |
| SMILES |
O[C@]1(CC[C@@]2([C@@]1([C@]1([C@@](CCC2=C)(C1(C)C)[H])[H])[H])[H])C |
| SPLASH |
splash10-052f-9810000000-441a1abf1f8a937f7ff6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001281 |
