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Furo[2,3-d]-1,3-dioxol-6-ol, 5-(2-benzothiazolyl)-3a,6a-dihydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), (3aR-cis)-
SpectraBase Compound ID Dzj0Z622qdd
InChI InChI=1S/C21H19NO6S2/c1-12-8-10-13(11-9-12)30(23,24)28-16-17(25-20-18(16)26-21(2,3)27-20)19-22-14-6-4-5-7-15(14)29-19/h4-11,18,20H,1-3H3/t18-,20-/m1/s1
InChIKey ISLTWZBTBDVJMK-UYAOXDASSA-N
Mol Weight 445.5 g/mol
Molecular Formula C21H19NO6S2
Exact Mass 445.06538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID US5aUogGwn
Name Furo[2,3-d]-1,3-dioxol-6-ol, 5-(2-benzothiazolyl)-3a,6a-dihydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), (3aR-cis)-
CAS Registry Number 71478-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO6S2
InChI InChI=1S/C21H19NO6S2/c1-12-8-10-13(11-9-12)30(23,24)28-16-17(25-20-18(16)26-21(2,3)27-20)19-22-14-6-4-5-7-15(14)29-19/h4-11,18,20H,1-3H3/t18-,20-/m1/s1
InChIKey ISLTWZBTBDVJMK-UYAOXDASSA-N
Molecular Weight 445.504 g/mol
SMILES C1(=C(c2nc3ccccc3s2)O[C@]2([C@@]1(OC(C)(C)O2)[H])[H])OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052e-9540000000-88f6dc5a98a5390f97d2
Source of Spectrum H-62-1302-0
Synonyms (3aR,6aR)-5-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-yl 4-methylbenzenesulfonate 2-(1,2-O-isopropylidene-3-O-(p-toluenesulfonyl)-3-.alpha.-D-glycero-tetreno-4-furannosyl)benzothiazole
Wiley ID 1386310