| SpectraBase Spectrum ID |
2nVmTn1a85H |
| Name |
Pseudoisoeugenyl isobutyrate |
| 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 |
234.125594437 u |
| Formula |
C14H18O3 |
| 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/C14H18O3/c1-5-6-11-9-12(16-4)7-8-13(11)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+ |
| InChIKey |
HVYCNLFVRHNHQR-AATRIKPKSA-N |
| Molecular Weight |
234.295 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
73 |
| SMILES |
c1(ccc(cc1\C=C\C)OC)OC(=O)C(C)C |
| SPLASH |
splash10-03di-5900000000-4057177910ddcd9a17a0 |
| Source |
ex PIMPINELA PEREGRINA ROOTS, ex KUBECZKA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001165 |
