| SpectraBase Spectrum ID |
HRQ9tt8OtI2 |
| Name |
Callitrisin |
| CAS Registry Number |
66964-62-3 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| 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/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
VHANAQXZAJSCOS-HVNMYJMUSA-N |
| Molecular Weight |
232.323 g/mol |
| Nominal Mass |
232 u |
| Number of Peaks |
120 |
| SMILES |
[C@]12(OC([C@@]([C@]2(C[C@]2([C@](C1)(C=CCC2=C)C)[H])[H])(C)[H])=O)[H] |
| SPLASH |
splash10-052f-5900000000-ce6cb5f5bbc95c45be1d |
| Source |
ex IAN SOUTHWELL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001473 |
