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25T2-NB4OMe HFBA derivative
SpectraBase Compound ID 4svVInnnbAN
InChI InChI=1S/C24H26F7NO4S/c1-5-37-20-13-18(35-3)16(12-19(20)36-4)10-11-32(14-15-6-8-17(34-2)9-7-15)21(33)22(25,26)23(27,28)24(29,30)31/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKey GJBLVRBMMBBTSL-UHFFFAOYSA-N
Mol Weight 557.52 g/mol
Molecular Formula C24H26F7NO4S
Exact Mass 557.147077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcRS1QWdNtE
Name 25T2-NB4OMe HFBA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26F7NO4S
InChI InChI=1S/C24H26F7NO4S/c1-5-37-20-13-18(35-3)16(12-19(20)36-4)10-11-32(14-15-6-8-17(34-2)9-7-15)21(33)22(25,26)23(27,28)24(29,30)31/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKey GJBLVRBMMBBTSL-UHFFFAOYSA-N
Molecular Weight 557.524 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)N(CCc1c(cc(c(c1)OC)SCC)OC)Cc1ccc(cc1)OC
SPLASH splash10-0229-2790010000-37769f0db8c912804757
Source of Spectrum SWG-33-4095-0
Synonyms 2C-T-2-NB4OMe HFBA derivative N-(4-(ethylthio)-2,5-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluoro-N-(4-methoxybenzyl)butanamide
Wiley ID 1810745