| SpectraBase Spectrum ID |
EOWfhnHWSPn |
| Name |
Butylidene phthalide <(3E)-> |
| CAS Registry Number |
76681-73-7 |
| 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 |
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-DHZHZOJOSA-N |
| Molecular Weight |
188.226 g/mol |
| Number of Peaks |
50 |
| RI1 |
1719 |
| RI2 |
1396 |
| SMILES |
C(\C=C/1OC(c2ccccc12)=O)CC |
| SPLASH |
splash10-0pdi-4900000000-fe62b9c86a6d2bf50cf3 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1(3H)-Isobenzofuranone, 3-butylidene-, (3E)- |
| Wiley ID |
LM_FFNSC3_3461 |
