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1-(Azidomethyl)-2-(ethylsulfinyl)-4-methylbenzene
SpectraBase Compound ID BNnfjPZqLuO
InChI InChI=1S/C10H13N3OS/c1-3-15(14)10-6-8(2)4-5-9(10)7-12-13-11/h4-6H,3,7H2,1-2H3
InChIKey ZSPVOEXTBOWLNH-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C10H13N3OS
Exact Mass 223.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RqwICBAfsf
Name 1-(Azidomethyl)-2-(ethylsulfinyl)-4-methylbenzene
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.077933224 u
Formula C10H13N3OS
InChI InChI=1S/C10H13N3OS/c1-3-15(14)10-6-8(2)4-5-9(10)7-12-13-11/h4-6H,3,7H2,1-2H3
InChIKey ZSPVOEXTBOWLNH-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 223.294 g/mol
Quality 102
SMILES C(N=[N+]=[N-])C1=C(C=C(C=C1)C)S(=O)CC
SPLASH splash10-0ufr-0900000000-8b398ab9d12a2cfc6dfd
Source of Spectrum ACI-57-SM12-3e (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.33 (pentane/EtOAc, 1:1)
Wiley ID 1893356