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3-isopropyl-3-methyl-isothiochroman

View entire compound with spectra: 1 MS (GC)

3-isopropyl-3-methyl-isothiochroman
SpectraBase Compound ID 2y86SU1klp0
InChI InChI=1S/C13H18S/c1-10(2)13(3)8-11-6-4-5-7-12(11)9-14-13/h4-7,10H,8-9H2,1-3H3
InChIKey WFKAKQDSUQBNGR-UHFFFAOYSA-N
Mol Weight 206.35 g/mol
Molecular Formula C13H18S
Exact Mass 206.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gAtJg9O2Bi
Name 3-isopropyl-3-methyl-isothiochroman
Alternate Name(s) 3-isopropyl-3-methyl-isothiochromane 3-methyl-3-propan-2-yl-1,4-dihydro-2-benzothiopyran 3-methyl-3-propan-2-yl-1,4-dihydroisothiochromene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S
InChI InChI=1S/C13H18S/c1-10(2)13(3)8-11-6-4-5-7-12(11)9-14-13/h4-7,10H,8-9H2,1-3H3
InChIKey WFKAKQDSUQBNGR-UHFFFAOYSA-N
Molecular Weight 206.347 g/mol
SMILES C1(SCc2c(C1)cccc2)(C(C)C)C
SPLASH splash10-03di-0910000000-a52c7dbb163de08c4dd7
Source of Spectrum J-61-1861-6
Wiley ID 1204896