| SpectraBase Spectrum ID |
9bkCOaykMYc |
| Name |
Callitrin |
| CAS Registry Number |
66964-63-4 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| 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/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
HHMGIPSZHRMYCD-HVNMYJMUSA-N |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
73 |
| SMILES |
C1(O[C@]2([C@@]([C@]1(C)[H])(C[C@@]([C@@](C2)(C)C=C)(C(=C)C)[H])[H])[H])=O |
| SPLASH |
splash10-014l-9500000000-1f8102e71b041a11d915 |
| Source |
ex CALITRUS COLUMINARIS WOOD OIL ex IAN SOUTHWELL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001472 |
