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2-tert-Butyl-4,6-dineopentyl-benzo[b]thiete

View entire compound with spectra: 1 MS (GC)

2-tert-Butyl-4,6-dineopentyl-benzo[b]thiete
SpectraBase Compound ID CTKJE8exPfb
InChI InChI=1S/C21H34S/c1-19(2,3)12-14-10-15(13-20(4,5)6)17-16(11-14)18(22-17)21(7,8)9/h10-11,17H,12-13H2,1-9H3
InChIKey PXUXPDJEBNLWEG-UHFFFAOYSA-N
Mol Weight 318.6 g/mol
Molecular Formula C21H34S
Exact Mass 318.238122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tndmNS6wMe
Name 2-tert-Butyl-4,6-dineopentyl-benzo[b]thiete
Alternate Name(s) 8-tert-Butyl-3,5-dineopentyl-7-thiabicyclo[4.2.0]octa-1(8),2,4-triene
CAS Registry Number 86563-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34S
InChI InChI=1S/C21H34S/c1-19(2,3)12-14-10-15(13-20(4,5)6)17-16(11-14)18(22-17)21(7,8)9/h10-11,17H,12-13H2,1-9H3
InChIKey PXUXPDJEBNLWEG-UHFFFAOYSA-N
Molecular Weight 318.563 g/mol
SMILES C12=C(C(C)(C)C)SC2C(CC(C)(C)C)=CC(=C1)CC(C)(C)C
SPLASH splash10-03di-0092000000-0e7f7f7255e25b027259
Source of Spectrum J-48-3073-0
Wiley ID 1319029