| SpectraBase Spectrum ID |
403rNIOZsW |
| Name |
Vulgarone B |
| CAS Registry Number |
64180-68-3 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| 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/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11?,12?,13-,15+/m1/s1 |
| InChIKey |
KTPOZFYJWLGJGH-SJQFEJMWSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
119 |
| SMILES |
CC1=CC(=O)C2[C@@]3(C(C)(C)CCC[C@]2(C13)C)[H] |
| SPLASH |
splash10-052g-7900000000-2623fc8572856b993765 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001401 |
