| SpectraBase Spectrum ID |
Cxqa42BLOCW |
| Name |
Caryophylla-3,8(13)-dien-5.alpha.-ol acetate, (3Z)- |
| CAS Registry Number |
32214-91-8 |
| 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/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3/b12-6-/t14-,15-,16+/m0/s1 |
| InChIKey |
OCLOVRSVPZPWHE-AXJUTFSVSA-N |
| Molecular Weight |
262.393 g/mol |
| Nominal Mass |
262 u |
| Number of Peaks |
88 |
| SMILES |
[C@@]12(C\C=C/([C@@](CCC([C@@]1(CC2(C)C)[H])=C)(OC(C)=O)[H])C)[H] |
| SPLASH |
splash10-0536-9800000000-dd97aa235de50e48ff21 |
| Source |
Betula pubescens buds; ex. A. Tkachev |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001193 |
