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1-(Azidomethyl)-2-(cyclohexylsulfinyl)benzene
SpectraBase Compound ID 8unPePVDccr
InChI InChI=1S/C13H17N3OS/c14-16-15-10-11-6-4-5-9-13(11)18(17)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKey XOAYOFVLXGGIBC-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C13H17N3OS
Exact Mass 263.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kgaf2rbVVgQ
Name 1-(Azidomethyl)-2-(cyclohexylsulfinyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.109233352 u
Formula C13H17N3OS
InChI InChI=1S/C13H17N3OS/c14-16-15-10-11-6-4-5-9-13(11)18(17)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKey XOAYOFVLXGGIBC-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Quality 89
SMILES C(N=[N+]=[N-])C1=C(C=CC=C1)S(=O)C1CCCCC1
SPLASH splash10-000i-1920000000-d890180d5851f3f266d9
Source of Spectrum ACI-57-SM13-3j (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.47 (pentane/EtOAc, 1:1)
Wiley ID 1893361