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1-[(3-Azidopropyl)sulfinyl]-4-methylbenzene
SpectraBase Compound ID 81fGzoMzhGf
InChI InChI=1S/C10H13N3OS/c1-9-3-5-10(6-4-9)15(14)8-2-7-12-13-11/h3-6H,2,7-8H2,1H3
InChIKey DLJPTODNOSPWKG-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 HkJtcD3PsFi
Name 1-[(3-Azidopropyl)sulfinyl]-4-methylbenzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.077933224 u
Formula C10H13N3OS
InChI InChI=1S/C10H13N3OS/c1-9-3-5-10(6-4-9)15(14)8-2-7-12-13-11/h3-6H,2,7-8H2,1H3
InChIKey DLJPTODNOSPWKG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 223.294 g/mol
Quality 73
SMILES C(N=[N+]=[N-])CCS(=O)C1=CC=C(C=C1)C
SPLASH splash10-0006-4910000000-11d91418396c07f6c31f
Source of Spectrum ACI-57-SM8-1b (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.26 (pentane/EtOAc, 1:1)
Wiley ID 1893317