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Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane]-3,5-diol, 4,7,7-trimethyl-, 5-acetate, [1R-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-

View entire compound with spectra: 1 MS (GC)

Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane]-3,5-diol, 4,7,7-trimethyl-, 5-acetate, [1R-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID H9qSKu0JuO2
InChI InChI=1S/C14H22O3S2/c1-8(15)17-10-7-9-12(2,3)13(10,4)11(16)14(9)18-5-6-19-14/h9-11,16H,5-7H2,1-4H3/t9-,10-,11?,13-/m0/s1
InChIKey XVUPFGCXHABRMP-GWENJTCBSA-N
Mol Weight 302.45 g/mol
Molecular Formula C14H22O3S2
Exact Mass 302.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MK3hC08kl1
Name Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane]-3,5-diol, 4,7,7-trimethyl-, 5-acetate, [1R-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-
Alternate Name(s) 3-Hydroxy-4,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dithiolane]-5-yl acetate 5,5-Ethylenedithio-6-endo-hydroxyisobornyl acetate
CAS Registry Number 70591-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3S2
InChI InChI=1S/C14H22O3S2/c1-8(15)17-10-7-9-12(2,3)13(10,4)11(16)14(9)18-5-6-19-14/h9-11,16H,5-7H2,1-4H3/t9-,10-,11?,13-/m0/s1
InChIKey XVUPFGCXHABRMP-GWENJTCBSA-N
Molecular Weight 302.447 g/mol
SMILES OC1C2(SCCS2)[C@@]2(C([C@]1([C@](C2)(OC(=O)C)[H])C)(C)C)[H]
SPLASH splash10-0a4r-0911000000-364f82f5afa25bcdc29a
Source of Spectrum I-57-745-0
Wiley ID 1304355