| SpectraBase Spectrum ID |
3UfKqePMSe |
| Name |
Isocroweacin |
| CAS Registry Number |
194609-21-7 |
| 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 |
192.078644243 u |
| Formula |
C11H12O3 |
| 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/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3-6H,7H2,1-2H3/b4-3+ |
| InChIKey |
KLOOULZVSJNLAD-ONEGZZNKSA-N |
| Molecular Weight |
192.214 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
127 |
| SMILES |
COc1c2c(ccc1\C=C\C)OCO2 |
| SPLASH |
splash10-0006-8900000000-b0027a5ab0aa4afdd589 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000749 |
