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1,3-Dithiane, 2-benzyl

View entire compound with spectra: 2 MS (GC)

1,3-Dithiane, 2-benzyl
SpectraBase Compound ID Kgts0UdR1sp
InChI InChI=1S/C11H14S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,11H,4,7-9H2
InChIKey NBGQAPJQVZTDQE-UHFFFAOYSA-N
Mol Weight 210.35 g/mol
Molecular Formula C11H14S2
Exact Mass 210.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTaHgUU8GG
Name 1,3-Dithiane, 2-benzyl
Alternate Name(s) 2-(Phenylmethyl)-1,3-dithiane 2-Benzyl-1,3-dithiane
CAS Registry Number 31593-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14S2
InChI InChI=1S/C11H14S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,11H,4,7-9H2
InChIKey NBGQAPJQVZTDQE-UHFFFAOYSA-N
Molecular Weight 210.353 g/mol
SMILES C1(SCCCS1)Cc1ccccc1
SPLASH splash10-01bc-9800000000-0ea34170f0df36b42117
Wiley ID 1477282