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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentadecaen-2-ol, 5-(2-benzothiazolyl)-, (.+-.)-
SpectraBase Compound ID 2duWgXAbL0e
InChI InChI=1S/C18H13NOS/c20-16-10-9-14(12-5-1-2-6-13(16)11-12)18-19-15-7-3-4-8-17(15)21-18/h1-10,20H,11H2
InChIKey XHESLDURSBUPDJ-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C18H13NOS
Exact Mass 291.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vXKESU1yq1
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentadecaen-2-ol, 5-(2-benzothiazolyl)-, (.+-.)-
Alternate Name(s) 10-(benzothiazol-2-yl)[4.4.1]undeca-1,3,5,7,9-pentaen-7-ol 5-(1,3-benzothiazol-2-yl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-ol
CAS Registry Number 107640-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NOS
InChI InChI=1S/C18H13NOS/c20-16-10-9-14(12-5-1-2-6-13(16)11-12)18-19-15-7-3-4-8-17(15)21-18/h1-10,20H,11H2
InChIKey XHESLDURSBUPDJ-UHFFFAOYSA-N
Molecular Weight 291.368 g/mol
SMILES OC=1C=CC(c2nc3ccccc3s2)=C2CC1C=CC=C2
SPLASH splash10-0006-1090000000-ff1747cd38b55e3aadef
Source of Spectrum H-69-324-7
Wiley ID 1294678