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6,7-bis(Benzyloxymethyl)-1,10-dimethoxy-3,12-dimethyl-6,7-dihydrodibenzo[e,g]-[1,4]dioxocin
SpectraBase Compound ID 5D6k0Cdx7u
InChI InChI=1S/C34H36O6/c1-23-15-28(36-4)34-29(16-23)39-31(21-37-19-25-11-7-5-8-12-25)32(22-38-20-26-13-9-6-10-14-26)40-30-18-27(35-3)17-24(2)33(30)34/h5-18,31-32H,19-22H2,1-4H3/t31-,32-/m1/s1
InChIKey SFXPCYQTYZVCQL-ROJLCIKYSA-N
Mol Weight 540.7 g/mol
Molecular Formula C34H36O6
Exact Mass 540.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jG2csJOt6C
Name 6,7-bis(Benzyloxymethyl)-1,10-dimethoxy-3,12-dimethyl-6,7-dihydrodibenzo[E,G]-[1,4]dioxocin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.251188873 u
Formula C34H36O6
InChI InChI=1S/C34H36O6/c1-23-15-28(36-4)34-29(16-23)39-31(21-37-19-25-11-7-5-8-12-25)32(22-38-20-26-13-9-6-10-14-26)40-30-18-27(35-3)17-24(2)33(30)34/h5-18,31-32H,19-22H2,1-4H3/t31-,32-/m1/s1
InChIKey SFXPCYQTYZVCQL-ROJLCIKYSA-N
Molecular Weight 540.656 g/mol
SMILES C1=2C(O[C@](COCC=3C=CC=CC3)([C@](OC=3C1=C(C=C(OC)C3)C)(COCC=1C=CC=CC1)[H])[H])=CC(=CC2OC)C