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(2R,3S)-3-Endo-(allyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(2R,3S)-3-Endo-(allyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid
SpectraBase Compound ID DMF5naBwi6j
InChI InChI=1S/C12H14O4/c1-2-5-16-12(15)10-8-4-3-7(6-8)9(10)11(13)14/h2-4,7-10H,1,5-6H2,(H,13,14)/t7?,8?,9-,10+/m1/s1
InChIKey NAYPMICIEKVXEU-BMNUFHGDSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4619s81ijrQ
Name (2R,3S)-3-Endo-(allyloxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-5-16-12(15)10-8-4-3-7(6-8)9(10)11(13)14/h2-4,7-10H,1,5-6H2,(H,13,14)/t7?,8?,9-,10+/m1/s1
InChIKey NAYPMICIEKVXEU-BMNUFHGDSA-N
Molecular Weight 222.240 g/mol
SMILES C12[C@]([C@@](C(=O)OCC=C)(C(C2)C=C1)[H])(C(=O)O)[H]