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(1R,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-sulfonic acid
SpectraBase Compound ID PVNT3b0vEb
InChI InChI=1S/C9H14O4S/c1-8(2)6-3-4-9(5-6,7(8)10)14(11,12)13/h6H,3-5H2,1-2H3,(H,11,12,13)/t6-,9+/m0/s1
InChIKey ZHTLRKANLGXVEH-IMTBSYHQSA-N
Mol Weight 218.27 g/mol
Molecular Formula C9H14O4S
Exact Mass 218.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyDM2qrSjI2
Name (1R,4R)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-sulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4S
InChI InChI=1S/C9H14O4S/c1-8(2)6-3-4-9(5-6,7(8)10)14(11,12)13/h6H,3-5H2,1-2H3,(H,11,12,13)/t6-,9+/m0/s1
InChIKey ZHTLRKANLGXVEH-IMTBSYHQSA-N
Literature Reference DOI 10.1002/rcm.4839
Molecular Weight 218.267 g/mol
SMILES OS([C@]12C(C([C@](C2)(CC1)[H])(C)C)=O)(=O)=O
SPLASH splash10-0006-9000000000-5ab0669f12d6361df9ba
Source of Spectrum RCM-25-399-1l
Wiley ID 1814793