| SpectraBase Spectrum ID |
AqyiB9k29cB |
| Name |
Bergamotol acetate<(Z)-alpha-trans-> |
| CAS Registry Number |
87978-33-4 |
| 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 |
262.193280075 u |
| Formula |
C17H26O2 |
| 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/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m0/s1 |
| InChIKey |
BDYQEBZJCFGMCH-PQNDISRJSA-N |
| Molecular Weight |
262.393 g/mol |
| Nominal Mass |
262 u |
| Number of Peaks |
174 |
| SMILES |
CC(=O)OC\C(=C/CC[C@]1([C@@]2(C(=CC[C@]1(C2)[H])C)[H])C)C |
| SPLASH |
splash10-0006-9500000000-d10272e3531ec5bb01f0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000162 |
