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2-(5-tert-butoxy-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)-1,3-benzothiazole
SpectraBase Compound ID 45FNgpBmzXd
InChI InChI=1S/C22H21NOS/c1-22(2,3)24-19-13-12-17(15-8-4-5-9-16(19)14-15)21-23-18-10-6-7-11-20(18)25-21/h4-13H,14H2,1-3H3
InChIKey OVFMQBGDERXRFL-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C22H21NOS
Exact Mass 347.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NAg0rYTDxP
Name 2-(5-tert-butoxy-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)-1,3-benzothiazole
CAS Registry Number 107640-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NOS
InChI InChI=1S/C22H21NOS/c1-22(2,3)24-19-13-12-17(15-8-4-5-9-16(19)14-15)21-23-18-10-6-7-11-20(18)25-21/h4-13H,14H2,1-3H3
InChIKey OVFMQBGDERXRFL-UHFFFAOYSA-N
Molecular Weight 347.476 g/mol
SMILES c1(nc2ccccc2s1)C1=C2CC(C=CC=C2)=C(C=C1)OC(C)(C)C
SPLASH splash10-0006-1090000000-266d91c72259fcf0e2ec
Source of Spectrum H-69-323-6
Synonyms 2-[5-[(2-methylpropan-2-yl)oxy]-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl]-1,3-benzothiazole
Wiley ID 1340117