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O-Isopropylidene-1,2-C-p-toluenesulfonyloxymethyl-3-alpha-D-xylofurannose
SpectraBase Compound ID GAVR6KrbKlu
InChI InChI=1S/C16H22O8S/c1-10-4-6-11(7-5-10)25(19,20)21-9-16(18)12(8-17)22-14-13(16)23-15(2,3)24-14/h4-7,12-14,17-18H,8-9H2,1-3H3/t12-,13+,14-,16+/m1/s1
InChIKey HBTKAMFUMHPGQD-CTASWTNQSA-N
Mol Weight 374.4 g/mol
Molecular Formula C16H22O8S
Exact Mass 374.103539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DPgFJ8ABz4
Name O-Isopropylidene-1,2-C-p-toluenesulfonyloxymethyl-3-alpha-D-xylofurannose
Alternate Name(s) Toluene-4-sulfonic acid 6-hydroxy-5-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-ylmethyl ester
CAS Registry Number 64775-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O8S
InChI InChI=1S/C16H22O8S/c1-10-4-6-11(7-5-10)25(19,20)21-9-16(18)12(8-17)22-14-13(16)23-15(2,3)24-14/h4-7,12-14,17-18H,8-9H2,1-3H3/t12-,13+,14-,16+/m1/s1
InChIKey HBTKAMFUMHPGQD-CTASWTNQSA-N
Molecular Weight 374.404 g/mol
SMILES OC[C@]1(O[C@]2([C@@]([C@@]1(COS(c1ccc(cc1)C)(=O)=O)O)(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0f79-9700000000-3765ec34ab711621f1e2
Source of Spectrum H-60-1988-11
Wiley ID 1356391