| SpectraBase Spectrum ID |
K1gBIOlJ9TE |
| Name |
Butyl phthalide<3-> |
| CAS Registry Number |
6066-49-5 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| 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/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChIKey |
HJXMNVQARNZTEE-UHFFFAOYSA-N |
| Molecular Weight |
190.242 g/mol |
| Nominal Mass |
190 u |
| Number of Peaks |
75 |
| SMILES |
C1(OC(CCCC)c2c1cccc2)=O |
| SPLASH |
splash10-001i-5900000000-c2956c0c95c657db570c |
| Source |
ex LOMATIUM DISSECTIUM ex VASU DEV |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000208 |
