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Carbonodithioic acid, O-(hexahydro-1,5,5-trimethyl-1H-[1,3]dioxolo[3,4]cyclopent[1,2-c]isoxazol-7-yl) S-methyl ester, [3aR-(3a.alpha.,3b.alpha.,6a.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID EOju6IH1Xi9
InChI InChI=1S/C12H19NO4S2/c1-12(2)16-8-6-5-14-13(3)7(6)9(10(8)17-12)15-11(18)19-4/h6-10H,5H2,1-4H3/t6-,7+,8-,9-,10-/m1/s1
InChIKey ARORUKHEHJDCNP-JDDHQFAOSA-N
Mol Weight 305.41 g/mol
Molecular Formula C12H19NO4S2
Exact Mass 305.07555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HTBzYfgLSR
Name Carbonodithioic acid, O-(hexahydro-1,5,5-trimethyl-1H-[1,3]dioxolo[3,4]cyclopent[1,2-c]isoxazol-7-yl) S-methyl ester, [3aR-(3a.alpha.,3b.alpha.,6a.alpha.,7.alpha.,7a.alpha.)]-
CAS Registry Number 73111-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4S2
InChI InChI=1S/C12H19NO4S2/c1-12(2)16-8-6-5-14-13(3)7(6)9(10(8)17-12)15-11(18)19-4/h6-10H,5H2,1-4H3/t6-,7+,8-,9-,10-/m1/s1
InChIKey ARORUKHEHJDCNP-JDDHQFAOSA-N
Molecular Weight 305.407 g/mol
SMILES [C@@]12([C@@]3([C@](OC(O3)(C)C)([H])[C@@]([C@]1(N(C)OC2)[H])(OC(=S)SC)[H])[H])[H]
SPLASH splash10-0002-1912000000-804c57c49dd7a8e8871a
Source of Spectrum H-62-2428-0
Synonyms 1H-[1,3]dioxolo[3,4]cyclopent[1,2-c]isoxazole, carbonodithioic acid deriv. 1l-(1,2,4,5/3)-1',2'-anhydro-1-hydroxymethyl-2-hydroxymethylamino-4,5-O-isopropylidene-3-O-thiomethylthiocarbonyl-3,4,5-cyclopentantriol O-[(3aS,3bR,6aR,7R,7aS)-1,5,5-trimethylhexahydro-1H-[1,3]dioxolo[4',5':3,4]cyclopenta[1,2-c]isoxazol-7-yl]S-methyl dithiocarbonate
Wiley ID 1307136