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anti,anti-2,6-Dideutertio-9-thiabicyclo[3.3.1]nonane
SpectraBase Compound ID CVUVJ4Ou5DM
InChI InChI=1S/C8H14S/c1-3-7-5-2-6-8(4-1)9-7/h7-8H,1-6H2/i3D,6D
InChIKey PXIVTQKYHYIJES-OMYOYQAJSA-N
Mol Weight 144.27 g/mol
Molecular Formula C8H12D2S
Exact Mass 144.094175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kzaxMYtRqd
Name anti,anti-2,6-Dideutertio-9-thiabicyclo[3.3.1]nonane
Alternate Name(s) anti,anti-2,6-Dideutero-9-thiabicyclo[3.3.1]nonane
CAS Registry Number 108008-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12D2S
InChI InChI=1S/C8H14S/c1-3-7-5-2-6-8(4-1)9-7/h7-8H,1-6H2/i3D,6D
InChIKey PXIVTQKYHYIJES-OMYOYQAJSA-N
Molecular Weight 144.272 g/mol
SMILES C12SC(CCC2[D])C(CC1)[D]
SPLASH splash10-0frl-6900000000-043a5927b67ca2c7bf68
Source of Spectrum J-52-2399-5
Wiley ID 1141332