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(+-)-o-benzyltetrahydrogroenlandicine

View entire compound with spectra: 1 NMR

(+-)-o-benzyltetrahydrogroenlandicine
SpectraBase Compound ID 9EsK1hg3Zu4
InChI InChI=1S/C26H25NO4/c1-28-24-13-20-19(12-25(24)29-15-17-5-3-2-4-6-17)9-10-27-14-21-18(11-22(20)27)7-8-23-26(21)31-16-30-23/h2-8,12-13,22H,9-11,14-16H2,1H3
InChIKey NYSZIOWOPVGLFL-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C26H25NO4
Exact Mass 415.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 533YvMtMHgX
Name (+-)-o-benzyltetrahydrogroenlandicine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.178358285 u
Formula C26H25NO4
InChI InChI=1S/C26H25NO4/c1-28-24-13-20-19(12-25(24)29-15-17-5-3-2-4-6-17)9-10-27-14-21-18(11-22(20)27)7-8-23-26(21)31-16-30-23/h2-8,12-13,22H,9-11,14-16H2,1H3
InChIKey NYSZIOWOPVGLFL-UHFFFAOYSA-N
Molecular Weight 415.489 g/mol
SMILES C12=C(C=CC3=C2OCO3)CC2N(C1)CCC1=C2C=C(C(=C1)OCC1=CC=CC=C1)OC