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1-[(3-Azidopropyl)sulfinyl]-2-methylbenzene
SpectraBase Compound ID 5MJxEy7eLlu
InChI InChI=1S/C10H13N3OS/c1-9-5-2-3-6-10(9)15(14)8-4-7-12-13-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey LBMBSXOKDZZZRV-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 67UR06G9kZJ
Name 1-[(3-Azidopropyl)sulfinyl]-2-methylbenzene
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.077933224 u
Formula C10H13N3OS
InChI InChI=1S/C10H13N3OS/c1-9-5-2-3-6-10(9)15(14)8-4-7-12-13-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey LBMBSXOKDZZZRV-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-])CCS(=O)C1=C(C=CC=C1)C
SPLASH splash10-0006-8910000000-9750728ac993525d007c
Source of Spectrum ACI-57-SM9-1i (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.33 (pentane/EtOAc, 1:1)
Wiley ID 1893324