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5-(adamantan-1-yl)-2,2':5',2''-terthiophene
SpectraBase Compound ID CUcx2rG1gpk
InChI InChI=1S/C22H22S3/c1-2-17(23-7-1)18-3-4-19(24-18)20-5-6-21(25-20)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-7,14-16H,8-13H2
InChIKey ZHJHSFKWTSUSHF-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C22H22S3
Exact Mass 382.088364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9EMXUK7Ca8
Name 5-(adamantan-1-yl)-2,2':5',2''-terthiophene
Alternate Name(s) 5-((1S,3s)-adamantan-1-yl)-2,2':5',2''-terthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22S3
InChI InChI=1S/C22H22S3/c1-2-17(23-7-1)18-3-4-19(24-18)20-5-6-21(25-20)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-7,14-16H,8-13H2
InChIKey ZHJHSFKWTSUSHF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 382.598 g/mol
SMILES C1C2CC3CC(C2)(CC1C3)c1sc(cc1)-c1sc(cc1)-c1sccc1
SPLASH splash10-001i-0019000000-eb642b6e90695aa6b03a
Source of Spectrum A1-16-2418/SMS23-7
Wiley ID 1749439