| SpectraBase Spectrum ID |
CNACwxF1rFn |
| Name |
2-benzyloxy-6-[(2'-heptyl-1',3'-dithian-2'-yl)methyl]-4-methoxybenzoic acid |
| Alternate Name(s) |
2-(benzyloxy)-6-[(2-heptyl-1,3-dithian-2-yl)methyl]-4-methoxybenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O4S2 |
| InChI |
InChI=1S/C27H36O4S2/c1-3-4-5-6-10-14-27(32-15-11-16-33-27)19-22-17-23(30-2)18-24(25(22)26(28)29)31-20-21-12-8-7-9-13-21/h7-9,12-13,17-18H,3-6,10-11,14-16,19-20H2,1-2H3,(H,28,29) |
| InChIKey |
HJGQEERYTMKMSM-UHFFFAOYSA-N |
| Molecular Weight |
488.701 g/mol |
| SMILES |
OC(c1c(cc(cc1CC1(SCCCS1)CCCCCCC)OC)OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-3f8bf17f394ed68dc2f8 |
| Source of Spectrum |
B-47-1335-0 |
| Wiley ID |
1396878 |
![2-benzyloxy-6-[(2'-heptyl-1',3'-dithian-2'-yl)methyl]-4-methoxybenzoic acid](/api/spectrum/CNACwxF1rFn/structure.png?h=300&w=458 "2-benzyloxy-6-[(2'-heptyl-1',3'-dithian-2'-yl)methyl]-4-methoxybenzoic acid")
