| SpectraBase Spectrum ID |
CyYr8PHCyF9 |
| Name |
4-(3-Hydroxy-3-methylbutynyl)phenyl 4-Methoxybenzyl Sulfide |
| Alternate Name(s) |
4-{4-[(4-methoxybenzyl)sulfanyl]phenyl}-2-methyl-3-butyn-2-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20O2S |
| InChI |
InChI=1S/C19H20O2S/c1-19(2,20)13-12-15-6-10-18(11-7-15)22-14-16-4-8-17(21-3)9-5-16/h4-11,20H,14H2,1-3H3 |
| InChIKey |
XGXNQMBSSSYSNQ-UHFFFAOYSA-N |
| Molecular Weight |
312.427 g/mol |
| SMILES |
OC(C#Cc1ccc(SCc2ccc(cc2)OC)cc1)(C)C |
| SPLASH |
splash10-00di-0920000000-d3b61e6a23983c3eac5c |
| Source of Spectrum |
C5-2003-2094-13 |
| Wiley ID |
1615999 |
