SpectraBase Compound ID | ESP5lQF3nrm |
---|---|
InChI | InChI=1S/C12H26O3S/c1-5-11(13,6-2)9-16(15)10-12(14,7-3)8-4/h13-14H,5-10H2,1-4H3 |
InChIKey | RTUVYUZISNKWRQ-UHFFFAOYSA-N |
Mol Weight | 250.4 g/mol |
Molecular Formula | C12H26O3S |
Exact Mass | 250.160266 g/mol |
SpectraBase Spectrum ID | BJZWHMhrxlc |
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Name | 3-(2-Ethyl-2-hydroxybutylsulfinylmethyl)-3-pentanol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H26O3S |
InChI | InChI=1S/C12H26O3S/c1-5-11(13,6-2)9-16(15)10-12(14,7-3)8-4/h13-14H,5-10H2,1-4H3 |
InChIKey | RTUVYUZISNKWRQ-UHFFFAOYSA-N |
Molecular Weight | 250.397 g/mol |
SMILES | OC(CS(CC(O)(CC)CC)=O)(CC)CC |
SPLASH | splash10-001i-9210000000-c17713d52f780055db6f |
Source of Spectrum | F4-62-3101-4 |
Wiley ID | 1619001 |