| SpectraBase Spectrum ID |
DEGIJG7L3VH |
| Name |
Pygmaein |
| CAS Registry Number |
16749-07-8 |
| 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 |
194.094294308 u |
| Formula |
C11H14O3 |
| 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/C11H14O3/c1-7(2)8-5-4-6-9(12)10(13)11(8)14-3/h4-7H,1-3H3,(H,12,13) |
| InChIKey |
WKNNCBGPLIVJTL-UHFFFAOYSA-N |
| Molecular Weight |
194.230 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
143 |
| SMILES |
COC1=C(C(C=CC=C1C(C)C)=O)O |
| SPLASH |
splash10-002f-6900000000-0869c765a3c3a0322d45 |
| Source |
ex ZAVARIN ex CUP. PIGMEA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001169 |
