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(O-kessan-6-yl)-S-methyl-dithiocarbonate
SpectraBase Compound ID 2Sp22fh05Ei
InChI InChI=1S/C17H28O2S2/c1-10-6-7-13-12(10)8-11-9-14(18-15(20)21-5)17(13,4)19-16(11,2)3/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13+,14+,17+/m0/s1
InChIKey IMHVFAJQCXGIJM-PUNSREOUSA-N
Mol Weight 328.53 g/mol
Molecular Formula C17H28O2S2
Exact Mass 328.153072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MVGnVRJOsv
Name (O-kessan-6-yl)-S-methyl-dithiocarbonate
Alternate Name(s) S-methyl O-[(1R,5S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0(2,6)]dodec-11-yl]dithiocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2S2
InChI InChI=1S/C17H28O2S2/c1-10-6-7-13-12(10)8-11-9-14(18-15(20)21-5)17(13,4)19-16(11,2)3/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13+,14+,17+/m0/s1
InChIKey IMHVFAJQCXGIJM-PUNSREOUSA-N
Molecular Weight 328.529 g/mol
SMILES [C@]12(OC(C)(C)[C@](C[C@]2(OC(=S)SC)[H])(C[C@]2([C@]1(CC[C@@]2(C)[H])[H])[H])[H])C
SPLASH splash10-03dj-6390000000-9e5ef874f4527e221c6a
Source of Spectrum F-47-4414-14
Wiley ID 1326133