| SpectraBase Spectrum ID |
LiSCr4EeNUf |
| Name |
Ledol |
| CAS Registry Number |
577-27-5 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| 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/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m0/s1 |
| InChIKey |
AYXPYQRXGNDJFU-AQEIEYEASA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
109 |
| SMILES |
O[C@@]1([C@]2([C@@]([C@]3(C(C)(C)[C@]3(CC1)[H])[H])([C@@](C)(CC2)[H])[H])[H])C |
| SPLASH |
splash10-052f-9500000000-19f1f1898f262488a71a |
| Source |
ex LEPECHINA SALVIAEFOLIA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000840 |
