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4-Methylbenzenesulfonic acid (2-nitrooxycyclohexyl) ester
SpectraBase Compound ID 4RfC8bt70Bc
InChI InChI=1S/C13H17NO6S/c1-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)19-14(15)16/h6-9,12-13H,2-5H2,1H3
InChIKey JCTMIUYRHYCHTH-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C13H17NO6S
Exact Mass 315.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33T5HB93BR4
Name 4-Methylbenzenesulfonic acid (2-nitrooxycyclohexyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6S
InChI InChI=1S/C13H17NO6S/c1-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)19-14(15)16/h6-9,12-13H,2-5H2,1H3
InChIKey JCTMIUYRHYCHTH-UHFFFAOYSA-N
Molecular Weight 315.340 g/mol
SMILES C1CCC(OS(c2ccc(cc2)C)(=O)=O)C(ON(=O)=O)C1
SPLASH splash10-052f-9300000000-d9f311fe274f4313d5fb
Synonyms Toluene-4-sulfonic acid, 2-nitrooxycyclohexyl ester
Wiley ID 1437665