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Spirolaxine - methyl ether

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

Spirolaxine - methyl ether
SpectraBase Compound ID 2TpanXMcqb4
InChI InChI=1S/C24H34O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17-,20-,24-/m1/s1
InChIKey JCVYMDCKTLUBAJ-RYFDGZFISA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4K41T2VlG8
Name Spirolaxine - methyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.235538809 u
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17-,20-,24-/m1/s1
InChIKey JCVYMDCKTLUBAJ-RYFDGZFISA-N
Molecular Weight 418.530 g/mol
SMILES C1=2C(O[C@@](C2C=C(C=C1OC)OC)(CCCCC[C@]1(O[C@]2(O[C@](C)(CC2)[H])CCC1)[H])[H])=O