SpectraBase Spectrum ID |
biIL5WG6Ot |
Name |
Sabinene hydrate acetate (Ac vs. IPP) |
CAS Registry Number |
77318-48-0 |
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 |
196.146329882 u |
Formula |
C12H20O2 |
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/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11+,12-/m0/s1 |
InChIKey |
MYCFGFMJUUNKBN-TUAOUCFPSA-N |
Molecular Weight |
196.290 g/mol |
Nominal Mass |
196 u |
Number of Peaks |
92 |
SMILES |
CC(=O)O[C@@]1(CC[C@]2(C[C@@]12[H])C(C)C)C |
SPLASH |
splash10-0006-9200000000-5dd484dcba4651be2863 |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA001201 |