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Spiro(1,3-benzodioxazole-2:1'-cyclohexane)-5-(5-oxopentanois acid)

View entire compound with spectra: 1 NMR

Spiro(1,3-benzodioxazole-2:1'-cyclohexane)-5-(5-oxopentanois acid)
SpectraBase Compound ID 1XdTtA9qNVq
InChI InChI=1S/C17H20O5/c18-13(5-4-6-16(19)20)12-7-8-14-15(11-12)22-17(21-14)9-2-1-3-10-17/h7-8,11H,1-6,9-10H2,(H,19,20)
InChIKey FHHDWESRMSMQGT-UHFFFAOYSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EjQOxnN3DO
Name Spiro(1,3-benzodioxazole-2:1'-cyclohexane)-5-(5-oxopentanois acid)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.131073739 u
Formula C17H20O5
InChI InChI=1S/C17H20O5/c18-13(5-4-6-16(19)20)12-7-8-14-15(11-12)22-17(21-14)9-2-1-3-10-17/h7-8,11H,1-6,9-10H2,(H,19,20)
InChIKey FHHDWESRMSMQGT-UHFFFAOYSA-N
Molecular Weight 304.342 g/mol
SMILES C1CC2(CCC1)OC1=CC=C(C=C1O2)C(CCCC(=O)O)=O