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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-isothiocyanato-
SpectraBase Compound ID 5zy9dPntFX0
InChI InChI=1S/C12H9NS/c14-9-13-12-7-3-5-10-4-1-2-6-11(12)8-10/h1-7H,8H2
InChIKey RIMGCVSPMNMLDZ-UHFFFAOYSA-N
Mol Weight 199.27 g/mol
Molecular Formula C12H9NS
Exact Mass 199.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XvmDr4EFW9
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-isothiocyanato-
CAS Registry Number 115163-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NS
InChI InChI=1S/C12H9NS/c14-9-13-12-7-3-5-10-4-1-2-6-11(12)8-10/h1-7H,8H2
InChIKey RIMGCVSPMNMLDZ-UHFFFAOYSA-N
Molecular Weight 199.271 g/mol
SMILES C12=C(N=C=S)C=CC=C(C2)C=CC=C1
SPLASH splash10-00kg-0900000000-f3fc77f8b8ada126d29f
Source of Spectrum K-121-1701-3
Wiley ID 1196801