| SpectraBase Spectrum ID |
1Axsgxek0O |
| Name |
Myrtenal |
| CAS Registry Number |
564-94-3 |
| 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 |
150.104465070 u |
| Formula |
C10H14O |
| 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/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3 |
| InChIKey |
KMRMUZKLFIEVAO-UHFFFAOYSA-N |
| Molecular Weight |
150.221 g/mol |
| Nominal Mass |
150 u |
| Number of Peaks |
101 |
| SMILES |
CC1(C)C2C(C=O)=CCC1C2 |
| SPLASH |
splash10-056u-9300000000-82e40abd77f25b68023e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000993 |
