| SpectraBase Spectrum ID |
4trY2ZWrPk |
| Name |
Isocaryophyllen-14-al |
| 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/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+ |
| InChIKey |
PDGJMGSNVOPQRK-WUXMJOGZSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
65 |
| SMILES |
C12C(CC\C=C/(CCC1C(C)(C)C2)C=O)=C |
| SPLASH |
splash10-0006-9700000000-95b7c5017f632cf9971b |
| Source |
Betula pubescens buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001197 |
