| SpectraBase Spectrum ID |
KRatOyHRqvA |
| Name |
Butylidene phthalide<3Z-> |
| CAS Registry Number |
72917-31-8 |
| 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 |
188.083729624 u |
| Formula |
C12H12O2 |
| 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/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8- |
| InChIKey |
WMBOCUXXNSOQHM-FLIBITNWSA-N |
| Molecular Weight |
188.226 g/mol |
| Nominal Mass |
188 u |
| Number of Peaks |
136 |
| SMILES |
C1(O\C(=C/CCC)c2c1cccc2)=O |
| SPLASH |
splash10-0pdi-4900000000-d831d4f7540e4fe9da33 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000212 |
