| SpectraBase Spectrum ID |
98d0qAVY3gx |
| Name |
3-Hydroxy-.beta.-caryophyllene acetate, isomer 1 |
| 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 |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C17H26O2/c1-11-7-6-8-12(2)16(19-13(3)18)9-15-14(11)10-17(15,4)5/h8,14-16H,1,6-7,9-10H2,2-5H3/b12-8+ |
| InChIKey |
AKIPFFDJCQWXJI-XYOKQWHBSA-N |
| Molecular Weight |
262.393 g/mol |
| Nominal Mass |
262 u |
| Number of Peaks |
93 |
| SMILES |
C12C(CC\C=C\(C(CC1C(C)(C)C2)OC(C)=O)C)=C |
| SPLASH |
splash10-05mo-5900000000-79b0efd39622639391c1 |
| Source |
Betula pubescens buds; ex. A. Tkachev |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001195 |
