| SpectraBase Spectrum ID |
J1coNMDklFy |
| Name |
3-n-Butylphthalide |
| CAS Registry Number |
6066-49-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2 |
| 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 |
| SMILES |
C1(OC(CCCC)c2c1cccc2)=O |
| SPLASH |
splash10-001i-0900000000-e3f1b012f4c4ff70a6da |
| Source of Spectrum |
F-44-2909-13 |
| Synonyms |
3-Butyl-1,3-dihydro-1-isobenzofuranone
1(3H)-Isobenzofuranone, 3-butyl-
3-Butyl-1(3H)-isobenzofuranone
3-Butylisobenzofuran-1(3H)-one
3-butyl-3H-2-benzofuran-1-one
3-butyl-3H-isobenzofuran-1-one
Phthalide, 3-butyl-
3-Butylphthalide
CCRIS 7107
EINECS 228-000-8
FEMA NO. 3334 |
| Wiley ID |
1186680 |
