| SpectraBase Spectrum ID |
1QkQL7M0TZt |
| Name |
2-Benzoyl-6,6-dimethyl-3-propyl-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
Red crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.134051120 u |
| Formula |
C20H22O2S |
| InChI |
InChI=1S/C20H22O2S/c1-4-8-14-17-15(21)11-20(2,3)12-16(17)23-19(14)18(22)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3 |
| InChIKey |
PIMPKENUNJXTTH-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
326.454 g/mol |
| Quality |
436 |
| SMILES |
C1=2SC(=C(C2C(CC(C1)(C)C)=O)CCC)C(C1=CC=CC=C1)=O |
| SPLASH |
splash10-002b-3293000000-f0cc092bee70b082d5a7 |
| Source of Spectrum |
K1-2018-3011-4as (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891758 |
