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(3aS,6aS)-3-Allylidene-2-methoxy-6a-(4-methoxyphenoxymethyl)-2,3,3a,6a-tetrahydro[4H-cyclopenta[b]furan]-4-one

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(3aS,6aS)-3-Allylidene-2-methoxy-6a-(4-methoxyphenoxymethyl)-2,3,3a,6a-tetrahydro[4H-cyclopenta[b]furan]-4-one
SpectraBase Compound ID FI8xNkuDJWB
InChI InChI=1S/C19H20O5/c1-4-5-15-17-16(20)10-11-19(17,24-18(15)22-3)12-23-14-8-6-13(21-2)7-9-14/h4-11,17-18H,1,12H2,2-3H3/b15-5-/t17-,18?,19-/m1/s1
InChIKey CXFSBSYXKQMJNB-XPHRCLSDSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nM7vDZfnCf
Name (3as,6as)-3-Allylidene-2-methoxy-6A-(4-methoxyphenoxymethyl)-2,3,3A,6A-tetrahydro[4H-cyclopenta[B]furan]-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.131073739 u
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-4-5-15-17-16(20)10-11-19(17,24-18(15)22-3)12-23-14-8-6-13(21-2)7-9-14/h4-11,17-18H,1,12H2,2-3H3/b15-5-/t17-,18?,19-/m1/s1
InChIKey CXFSBSYXKQMJNB-XPHRCLSDSA-N
Molecular Weight 328.364 g/mol
SMILES [C@]12([C@](\C(=C\C=C)C(O2)OC)(C(=O)C=C1)[H])COC=1C=CC(=CC1)OC