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3-Isopropylisothiochroman

View entire compound with spectra: 1 MS (GC)

3-Isopropylisothiochroman
SpectraBase Compound ID 6IiAIfIRlnk
InChI InChI=1S/C12H16S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey RNRQUMMQCCDLLP-UHFFFAOYSA-N
Mol Weight 192.32 g/mol
Molecular Formula C12H16S
Exact Mass 192.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAP2jRUwt3Q
Name 3-Isopropylisothiochroman
Alternate Name(s) 3-Isopropylisothiochromane 3-propan-2-yl-3,4-dihydro-1H-2-benzothiopyran 3-propan-2-yl-3,4-dihydro-1H-isothiochromene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16S
InChI InChI=1S/C12H16S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey RNRQUMMQCCDLLP-UHFFFAOYSA-N
Molecular Weight 192.320 g/mol
SMILES C1(SCc2c(C1)cccc2)C(C)C
SPLASH splash10-0002-0900000000-42ff153ccffe5fd8c3cc
Source of Spectrum J-61-1861-6
Wiley ID 1188873