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3-azidopropylsulfinylmethylbenzene
SpectraBase Compound ID 4fdXWgXcxCs
InChI InChI=1S/C10H13N3OS/c11-13-12-7-4-8-15(14)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey DIRYHRDHGRPHGN-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 7OpWiBcmnKM
Name 3-azidopropylsulfinylmethylbenzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.077933224 u
Formula C10H13N3OS
InChI InChI=1S/C10H13N3OS/c11-13-12-7-4-8-15(14)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey DIRYHRDHGRPHGN-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 223.294 g/mol
Quality 31
SMILES C(N=[N+]=[N-])CCS(=O)CC1=CC=CC=C1
SPLASH splash10-0006-9100000000-0a2c2d065e4a1c034d9b
Source of Spectrum ACI-57-SM11-1r (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.38 (EtOAc)
Wiley ID 1893330