| SpectraBase Spectrum ID |
1QMfEl68sBW |
| Name |
Cedren-3-one<2-epi-alpha-> |
| CAS Registry Number |
288249-25-2 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| 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/C15H22O/c1-9-5-6-15-8-11(9)14(3,4)13(15)7-12(16)10(15)2/h5,10-11,13H,6-8H2,1-4H3/t10-,11-,13-,15-/m0/s1 |
| InChIKey |
QGZLQHVSALKXDZ-UHXUCMFUSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
120 |
| SMILES |
C1C([C@](C)([C@]23[C@@]1(C(C)(C)[C@](C3)([H])C(=CC2)C)[H])[H])=O |
| SPLASH |
splash10-05tf-9710000000-e3e6d80e4e9976d0f73f |
| Source |
ex ARMANDO LARA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000304 |
