![[(1-methylheptylidene)dithio]diacetic acid](/api/spectrum/KIHvK3Ztbl0/structure.png?h=300&w=458 "[(1-methylheptylidene)dithio]diacetic acid")
| SpectraBase Compound ID | Kc8lkPqRE9O |
|---|---|
| InChI | InChI=1S/C12H22O4S2/c1-3-4-5-6-7-12(2,17-8-10(13)14)18-9-11(15)16/h3-9H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | CZATXUDEBRKCHW-UHFFFAOYSA-N |
| Mol Weight | 294.42 g/mol |
| Molecular Formula | C12H22O4S2 |
| Exact Mass | 294.095952 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIHvK3Ztbl0 |
|---|---|
| Name | [(1-methylheptylidene)dithio]diacetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O4S2 |
| InChI | InChI=1S/C12H22O4S2/c1-3-4-5-6-7-12(2,17-8-10(13)14)18-9-11(15)16/h3-9H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | CZATXUDEBRKCHW-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 24509M |
| Solvent | CDCl3 |