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2-Cyclohepten-1-ol, 1-(2-phenyl-1,3-dithian-2-yl)-
SpectraBase Compound ID BWpQ6YFW7Cf
InChI InChI=1S/C17H22OS2/c18-16(11-6-1-2-7-12-16)17(19-13-8-14-20-17)15-9-4-3-5-10-15/h3-6,9-11,18H,1-2,7-8,12-14H2
InChIKey MKOWZHXNSDWECM-UHFFFAOYSA-N
Mol Weight 306.48 g/mol
Molecular Formula C17H22OS2
Exact Mass 306.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3sEdx7MbU8
Name 2-Cyclohepten-1-ol, 1-(2-phenyl-1,3-dithian-2-yl)-
Alternate Name(s) 1-(2-phenyl-1,3-dithian-2-yl)-1-cyclohept-2-enol 1-(2-Phenyl-1,3-dithian-2-yl)-2-cyclohepten-1-ol 1-(2-phenyl-1,3-dithian-2-yl)cyclohept-2-en-1-ol
CAS Registry Number 66124-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS2
InChI InChI=1S/C17H22OS2/c18-16(11-6-1-2-7-12-16)17(19-13-8-14-20-17)15-9-4-3-5-10-15/h3-6,9-11,18H,1-2,7-8,12-14H2
InChIKey MKOWZHXNSDWECM-UHFFFAOYSA-N
Molecular Weight 306.482 g/mol
SMILES OC1(CCCCC=C1)C1(c2ccccc2)SCCCS1
SPLASH splash10-0002-2900000000-e2f81b68af1b965b6291
Source of Spectrum O-15-504-4
Wiley ID 1308031