| SpectraBase Spectrum ID |
LUsoGmkY6Hl |
| Name |
Butylidenephthalide |
| CAS Registry Number |
72917-31-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
188.083729624 u |
| Formula |
C12H12O2 |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
188.226 g/mol |
| Nominal Mass |
188 u |
| Quality |
908 |
| Retention Index |
1408 |
| SMILES |
C=12C(C(O\C2=C\CCC)=O)=CC=CC1 |
| SPLASH |
splash10-0a4i-2900000000-df538ad81fa5921e4524 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Butylidene-2-benzofuran-1(3H)one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022316 |
