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Shinpterocarpin

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

Shinpterocarpin
SpectraBase Compound ID B3myatjKLv
InChI InChI=1S/C20H18O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
InChIKey QGPHRCQDTPCIQI-KXBFYZLASA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFwDnRSHeQw
Name Shinpterocarpin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
InChIKey QGPHRCQDTPCIQI-KXBFYZLASA-N
Molecular Weight 322.360 g/mol
SMILES [C@]12(C3=C(C=4C=CC(OC4C=C3)(C)C)OC[C@]2(C=2C=CC(=CC2O1)O)[H])[H]