| SpectraBase Spectrum ID |
6s1Mx9EdrYd |
| Name |
Ascaridole |
| CAS Registry Number |
512-85-6 |
| 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 |
168.115029753 u |
| Formula |
C10H16O2 |
| 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/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3/t9-,10+/m1/s1 |
| InChIKey |
MGYMHQJELJYRQS-ZJUUUORDSA-N |
| Molecular Weight |
168.236 g/mol |
| Nominal Mass |
168 u |
| Number of Peaks |
79 |
| SMILES |
C(C)(C)[C@]12CC[C@@](C=C2)(OO1)C |
| SPLASH |
splash10-0006-9400000000-6f18ac06f46d85e3da9b |
| Source |
ex CHENOPODIUM OIL ex THERESA CHAMBLEE(VOIDED 0017) |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000121 |
