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Triptophenolide methyl ether

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

Triptophenolide methyl ether
SpectraBase Compound ID AHJ6aDzDFAh
InChI InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
InChIKey JQYCSQASGZODFD-GHTZIAJQSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeW3NKuEpVm
Name Triptophenolide methyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
InChIKey JQYCSQASGZODFD-GHTZIAJQSA-N
Molecular Weight 326.436 g/mol
SMILES [C@@]12([C@](C=3COC(C3CC2)=O)(CCC=2C1=CC=C(C(C)C)C2OC)[H])C