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5-Amino-6-benzylpyrazin-2-yl4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

5-Amino-6-benzylpyrazin-2-yl4-methylbenzenesulfonate
SpectraBase Compound ID 4rW4ER0d2QX
InChI InChI=1S/C18H17N3O3S/c1-13-7-9-15(10-8-13)25(22,23)24-17-12-20-18(19)16(21-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,19,20)
InChIKey HKMZEQOWPJRSRZ-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C18H17N3O3S
Exact Mass 355.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EA3F1RMELY
Name 5-Amino-6-benzylpyrazin-2-yl4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O3S
InChI InChI=1S/C18H17N3O3S/c1-13-7-9-15(10-8-13)25(22,23)24-17-12-20-18(19)16(21-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,19,20)
InChIKey HKMZEQOWPJRSRZ-UHFFFAOYSA-N
Molecular Weight 355.412 g/mol
SMILES Nc1ncc(OS(c2ccc(cc2)C)(=O)=O)nc1Cc1ccccc1
SPLASH splash10-0kgo-5954000000-f8aa51caddec60ac3d19
Source of Spectrum F-67-1156-17
Wiley ID 1685755