(1S,3R,4R,5R)-3-Acetoxy-1-(2-methyl-1,3-dithian-2-yl)-1,4,5-cyclohexantriol
Compound with spectra: 1 MS (GC)
| SpectraBase Compound ID | EtGbo9k4nIR |
|---|---|
| InChI | InChI=1S/C13H22O5S2/c1-8(14)18-10-7-13(17,6-9(15)11(10)16)12(2)19-4-3-5-20-12/h9-11,15-17H,3-7H2,1-2H3/t9-,10-,11-,13+/m1/s1 |
| InChIKey | BKHFEOAHDIPPST-UZWSLXQKSA-N |
| Mol Weight | 322.43 g/mol |
| Molecular Formula | C13H22O5S2 |
| Exact Mass | 322.090866 g/mol |
| Enantiomer InChIKey | BKHFEOAHDIPPST-MRBYEJRBSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | K-113-1939-13 |
3-O-GALLOYL-QUINIC-ACID
5-O-(TRANS)-O-COUMAROYL-QUINIC-ACID-METHYLESTER
3-O-FERULOYLQUINIC-ACID
BENZYL-5-O-BUTANOYLQUINATE;BENZYL-5-BETA-(BUTANOYLOXY)-1-ALPHA,3-ALPHA,4-ALPHA-TRIHYDROXYCYCLOHEXANE-1-BETA-CARBOXYLATE
ETHYL-(1R,3R,4S,5R)-3,5-BIS-([(E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLATE
3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
3-{2-[1-(Benzyloxy)cyclohexyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
3,5-DICAFFEOYL-QUINIC-ACID-METHYLESTER
METHYL-3,5-O-DI-CAFFEOYL-QUINATE
2.beta.,6.beta.-Adamantanebis(methanesulfonate)
Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley
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KnowItAll Mass Spectral Library
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