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3-(2-Methyl-1,3-dithiolan-2-yl)indole
SpectraBase Compound ID HBP4SMPBZ2p
InChI InChI=1S/C12H13NS2/c1-12(14-6-7-15-12)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3
InChIKey TVPVFCFPZXJBGP-UHFFFAOYSA-N
Mol Weight 235.36 g/mol
Molecular Formula C12H13NS2
Exact Mass 235.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HujRNeujtbw
Name 3-(2-Methyl-1,3-dithiolan-2-yl)indole
Alternate Name(s) 3-[.alpha.,.alpha.-Ethylenethiodiethyl]indole 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole 3-(2-Methyl-[1,3]dithiolan-2-yl)-1H-indole
CAS Registry Number 54921-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NS2
InChI InChI=1S/C12H13NS2/c1-12(14-6-7-15-12)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3
InChIKey TVPVFCFPZXJBGP-UHFFFAOYSA-N
Molecular Weight 235.363 g/mol
SMILES [nH]1c2ccccc2c(c1)C1(C)SCCS1
SPLASH splash10-009l-1940000000-e6d61fa454c413ba3a0c
Source of Spectrum Y-27-1474-4
Wiley ID 1237035