| SpectraBase Spectrum ID |
AVRO0xZKq |
| Name |
Elema-1,3-dien-8-ol<7-acetoxy-> |
| CAS Registry Number |
394251-68-4 |
| 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 |
280.203844759 u |
| Formula |
C17H28O3 |
| 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/C17H28O3/c1-8-16(7)10-15(19)17(12(4)5,20-13(6)18)9-14(16)11(2)3/h8,12,14-15,19H,1-2,9-10H2,3-7H3/t14-,15-,16+,17-/m1/s1 |
| InChIKey |
MAEYHNLIMUMZET-WCXIOVBPSA-N |
| Molecular Weight |
280.408 g/mol |
| Nominal Mass |
280 u |
| Number of Peaks |
162 |
| SMILES |
C(=O)(C)O[C@@]1([C@@](C[C@@]([C@](C1)(C(C)=C)[H])(C=C)C)(O)[H])C(C)C |
| SPLASH |
splash10-0006-9600000000-55293b7f856b1b35b3c1 |
| Source |
ex KOENIG |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000511 |
