| SpectraBase Spectrum ID |
9trw1BWSrSJ |
| Name |
Isoheptyl 2,4,6-Trimethoxybenzyl Sulfide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O3S |
| InChI |
InChI=1S/C17H28O3S/c1-13(2)8-6-7-9-21-12-15-16(19-4)10-14(18-3)11-17(15)20-5/h10-11,13H,6-9,12H2,1-5H3 |
| InChIKey |
MVCNMHHGJGFNPG-UHFFFAOYSA-N |
| Molecular Weight |
312.468 g/mol |
| SMILES |
c1(c(cc(cc1OC)OC)OC)CSCCCCC(C)C |
| SPLASH |
splash10-001i-0900000000-c8f5cc305eb3a646d83b |
| Source of Spectrum |
SK-26-2159-0 |
| Synonyms |
1,3,5-trimethoxy-2-{[(5-methylhexyl)sulfanyl]methyl}benzene |
| Wiley ID |
867192 |
