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Bicyclo[2.2.1]hept-5-ene-2,3-diacetic acid, .alpha.-oxo-.alpha.'-phenyl-, dimethyl ester, (1R,2R,3R,4S,.alpha.'R)-
SpectraBase Compound ID 4OsxVAYOu0M
InChI InChI=1S/C19H20O5/c1-23-18(21)16(11-6-4-3-5-7-11)14-12-8-9-13(10-12)15(14)17(20)19(22)24-2/h3-9,12-16H,10H2,1-2H3/t12-,13+,14+,15+,16?/m0/s1
InChIKey JVFWHTMACCKVHH-OWVXKZQJSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Z2pQ8c9FyD
Name Bicyclo[2.2.1]hept-5-ene-2,3-diacetic acid, .alpha.-oxo-.alpha.'-phenyl-, dimethyl ester, (1R,2R,3R,4S,.alpha.'R)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.131073739 u
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-23-18(21)16(11-6-4-3-5-7-11)14-12-8-9-13(10-12)15(14)17(20)19(22)24-2/h3-9,12-16H,10H2,1-2H3/t12-,13+,14+,15+,16?/m0/s1
InChIKey JVFWHTMACCKVHH-OWVXKZQJSA-N
Molecular Weight 328.364 g/mol
SMILES C=1[C@@]2([C@]([C@@]([C@](C1)(C2)[H])(C(C(OC)=O)=O)[H])(C(C(OC)=O)C1=CC=CC=C1)[H])[H]