| SpectraBase Spectrum ID |
8EkZnh0WCqc |
| Name |
3E-Butylidenephthalide |
| Alternate Name(s) |
Butylidene phthalide<3E-> |
| CAS Registry Number |
76681-73-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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-DHZHZOJOSA-N |
| Molecular Weight |
188.226 g/mol |
| SMILES |
c1cc2c(cc1)C(O\C2=C/CCC)=O |
| SPLASH |
splash10-0pdi-5900000000-2b6486c1a1bd48791a14 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1885972 |
