| SpectraBase Spectrum ID |
3bSCANZJQf0 |
| Name |
Nerone |
| CAS Registry Number |
41766-72-7 |
| 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 |
194.167065327 u |
| Formula |
C13H22O |
| 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/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3/t11-,12-/m0/s1 |
| InChIKey |
DZSVIVLGBJKQAP-RYUDHWBXSA-N |
| Molecular Weight |
194.318 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
97 |
| SMILES |
[C@]1(C[C@](CC=C1C)(C(C)C)[H])(C(CC)=O)[H] |
| SPLASH |
splash10-053u-9100000000-670d7c9d6e4d4cff356e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001012 |
