| SpectraBase Spectrum ID |
9nIivO479T3 |
| Name |
Muurol-5-en-4-one |
| CAS Registry Number |
63180-33-6 |
| 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 |
206.167065327 u |
| Formula |
C14H22O |
| 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/C14H22O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13+/m1/s1 |
| InChIKey |
AQNMVDGKNNYAEW-RTXFEEFZSA-N |
| Molecular Weight |
206.329 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
51 |
| SMILES |
C=1C(CC[C@@]2(C1[C@@](C(C)C)(CC[C@]2(C)[H])[H])[H])=O |
| SPLASH |
splash10-01r6-9800000000-d836f26ea1c83c6cb7bf |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000975 |
