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4-Methylbenzenesulfonic acid (2-nitrooxycyclohexyl) ester

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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2b63pQNRfnB
Name 2-(nitrooxy)cyclohexyl 4-methylbenzenesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17928
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00006424; Labnumber: 987/00006424218879; VK_ID: VK-017935
Temperature 308 °C