| SpectraBase Spectrum ID |
30Ar4WL1zU |
| Name |
Methyl thujate |
| CAS Registry Number |
54598-10-6 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| 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/C11H14O2/c1-11(2)7-4-5-9(6-8-11)10(12)13-3/h4-8H,1-3H3 |
| InChIKey |
QZYLIXQVHZRYQQ-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Number of Peaks |
113 |
| SMILES |
COC(C=1C=CC(C=CC1)(C)C)=O |
| SPLASH |
splash10-0j4l-6900000000-73cc2f01ff03a5932e84 |
| Source |
ex WESTERN RED CEDAR OIL ex ROBIN CLERY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000961 |
