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1-[(3-Azidopropyl)sulfinyl]-4-(tert-butyl)benzene
SpectraBase Compound ID FqdC49n1DkL
InChI InChI=1S/C13H19N3OS/c1-13(2,3)11-5-7-12(8-6-11)18(17)10-4-9-15-16-14/h5-8H,4,9-10H2,1-3H3
InChIKey PHDCIGAOTAIHEN-UHFFFAOYSA-N
Mol Weight 265.37 g/mol
Molecular Formula C13H19N3OS
Exact Mass 265.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sqJne1fTXD
Name 1-[(3-Azidopropyl)sulfinyl]-4-(tert-butyl)benzene
Appearance Colorless oil
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Exact Mass 265.124883417 u
Formula C13H19N3OS
InChI InChI=1S/C13H19N3OS/c1-13(2,3)11-5-7-12(8-6-11)18(17)10-4-9-15-16-14/h5-8H,4,9-10H2,1-3H3
InChIKey PHDCIGAOTAIHEN-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 265.375 g/mol
Quality 9
SMILES C(N=[N+]=[N-])CCS(=O)C1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0159-0910000000-a75d74413a0c6a5bc5fe
Source of Spectrum ACI-57-SM8-1c (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.37 (pentane/EtOAc, 1:1)
Wiley ID 1893318