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1-(Azidomethyl)-2-(ethylsulfinyl)-4-(trifluoromethyl)benzene
SpectraBase Compound ID 4DmN7mRv2G9
InChI InChI=1S/C10H10F3N3OS/c1-2-18(17)9-5-8(10(11,12)13)4-3-7(9)6-15-16-14/h3-5H,2,6H2,1H3
InChIKey QHLGRQPKKBMUAM-UHFFFAOYSA-N
Mol Weight 277.27 g/mol
Molecular Formula C10H10F3N3OS
Exact Mass 277.049668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBN6XXY0MTO
Name 1-(Azidomethyl)-2-(ethylsulfinyl)-4-(trifluoromethyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.049667616 u
Formula C10H10F3N3OS
InChI InChI=1S/C10H10F3N3OS/c1-2-18(17)9-5-8(10(11,12)13)4-3-7(9)6-15-16-14/h3-5H,2,6H2,1H3
InChIKey QHLGRQPKKBMUAM-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 277.265 g/mol
SMILES C(N=[N+]=[N-])C1=C(C=C(C=C1)C(F)(F)F)S(=O)CC
SPLASH splash10-0ue9-0090000000-09ea99239efdd357c48d
Source of Spectrum ACI-57-SM12-3f (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.52 (pentane/EtOAc, 1:1)
Wiley ID 1893357