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(1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

(1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
SpectraBase Compound ID CPT9Eqdy98P
InChI InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1
InChIKey KPWKPGFLZGMMFX-VHSXEESVSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LX3PykQKjmY
Name (1S)-3-OXO-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 13429-83-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1
InChIKey KPWKPGFLZGMMFX-VHSXEESVSA-N
Molecular Weight 198.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20