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(-)-(1S,3R,4S,6R,7R,9S)-9-Isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-4-yl methanesulfonate
SpectraBase Compound ID 2GeMQQjKjHB
InChI InChI=1S/C16H28O3S/c1-10(2)12-6-13-15(3)7-11(12)8-16(13,4)14(9-15)19-20(5,17)18/h10-14H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16+/m1/s1
InChIKey HNPWPBHYAOWEER-TWHJKIGZSA-N
Mol Weight 300.46 g/mol
Molecular Formula C16H28O3S
Exact Mass 300.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Groxz0lQmfc
Name (-)-(1S,3R,4S,6R,7R,9S)-9-Isopropyl-3,6-dimethyltricyclo[4.3.1.0(3,7)]dec-4-yl methanesulfonate
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Exact Mass 300.175915933 u
Formula C16H28O3S
InChI InChI=1S/C16H28O3S/c1-10(2)12-6-13-15(3)7-11(12)8-16(13,4)14(9-15)19-20(5,17)18/h10-14H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16+/m1/s1
InChIKey HNPWPBHYAOWEER-TWHJKIGZSA-N
Instrument Name Jeol JMS-DX 303 GCMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.707
Optical Rotation [a]D22 = -21.0 (c = 1.49, CHCl3)
Quality 68
SMILES [C@@]12([C@@]3(C[C@]([C@@](C2)(C[C@]3(C)C[C@@]1(OS(C)(=O)=O)[H])[H])(C(C)C)[H])[H])C
SPLASH splash10-0r00-1960000000-3082024629af7e07b5de
Source of Spectrum ARK-2002-60-21 (DOI: 10.3998/ark.5550190.0003.707)
Wiley ID 1904759