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7-Thiatricyclo[6.3.1.0(5,12)]dodecatriene
SpectraBase Compound ID BZya1RRmIwp
InChI InChI=1S/C11H12S/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1,3,5,10H,2,4,6-7H2
InChIKey JJPQMWFIPJZMQN-UHFFFAOYSA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vKZ0zV4fZ7
Name 7-Thiatricyclo[6.3.1.0(5,12)]dodecatriene
Alternate Name(s) 7,8,8a,8b-tetrahydro-6H-naphtho[1,8-bc]thiophene
CAS Registry Number 199807-55-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1,3,5,10H,2,4,6-7H2
InChIKey JJPQMWFIPJZMQN-UHFFFAOYSA-N
Molecular Weight 176.277 g/mol
SMILES C12SCc3cccc(c23)CCC1
SPLASH splash10-002b-0900000000-8c6627abf9322f2e54e0
Source of Spectrum F-53-15966-23
Wiley ID 804487