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6-chloro-7-(methylsulfonyl)bicyclo[3.1.1]heptane
SpectraBase Compound ID 6IVrM2Ng8uj
InChI InChI=1S/C8H13ClO2S/c1-12(10,11)8-5-3-2-4-6(8)7(5)9/h5-8H,2-4H2,1H3/t5-,6+,7-,8-
InChIKey CEUPCBDHUWSNRW-HZFNTPMKSA-N
Mol Weight 208.7 g/mol
Molecular Formula C8H13ClO2S
Exact Mass 208.032479 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Y7XgEEFjoY
Name 6-chloro-7-(methylsulfonyl)bicyclo[3.1.1]heptane
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/C8H13ClO2S/c1-12(10,11)8-5-3-2-4-6(8)7(5)9/h5-8H,2-4H2,1H3/t5-,6+,7-,8-
InChIKey CEUPCBDHUWSNRW-HZFNTPMKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1444
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: S14448RS4-221; Labnumber: S14448RS4-221; VK_ID: VK-001445
Synonyms 7-chlorobicyclo[3.1.1]hept-6-yl methyl sulfone
Temperature 315 °C