| SpectraBase Spectrum ID |
6nZSwVImmBx |
| Name |
Neryl acetone |
| CAS Registry Number |
3879-26-3 |
| 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 |
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/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| InChIKey |
HNZUNIKWNYHEJJ-XFXZXTDPSA-N |
| Molecular Weight |
194.318 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
128 |
| SMILES |
C(\C=C/(CCC=C(C)C)C)CC(C)=O |
| SPLASH |
splash10-0006-9200000000-e2a2a983eedccf2ed455 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001920 |
