| SpectraBase Spectrum ID |
5fEadvM6hhy |
| Name |
Caryophylla-4(12),8(13)-dien-5-one |
| 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 |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m1/s1 |
| InChIKey |
ZZHHIRFCRIFTAN-CHWSQXEVSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
62 |
| SMILES |
C1C[C@@]2([C@](CC2(C)C)(C(CCC(C1=C)=O)=C)[H])[H] |
| SPLASH |
splash10-0036-9800000000-bf706dfefdd43b25c863 |
| Source |
Betula pubescens buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001198 |
