| SpectraBase Spectrum ID |
9EFQ9xea0FQ |
| Name |
Phthalide<3-butyl hexahydro-> |
| CAS Registry Number |
3553-34-2 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| 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/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3 |
| InChIKey |
TZRMFZSOOVBPPN-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| Nominal Mass |
196 u |
| Number of Peaks |
48 |
| SMILES |
C1(OC(CCCC)C2C1CCCC2)=O |
| SPLASH |
splash10-00lg-9100000000-423fc21cfabeda660983 |
| Source |
ex LOMATIUM DISSECTUM |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002024 |
