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(3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-chlorobenzoate

View entire compound with spectra: 2 NMR

(3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-chlorobenzoate
SpectraBase Compound ID 4dEZXabZs5j
InChI InChI=1S/C22H21ClO5/c1-10-8-15(24)17-11(2)9-16(19-12(3)21(25)28-20(19)18(10)17)27-22(26)13-6-4-5-7-14(13)23/h4-8,12,16,18-20H,9H2,1-3H3
InChIKey NETASXRBGMXMDT-UHFFFAOYSA-N
Mol Weight 400.86 g/mol
Molecular Formula C22H21ClO5
Exact Mass 400.107751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pSyaLvmO2a
Name (3S,4S,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,7,9A,9B-octahydroazuleno[4,5-B]furan-4-yl 2-chlorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.107751471 u
Formula C22H21ClO5
InChI InChI=1S/C22H21ClO5/c1-10-8-15(24)17-11(2)9-16(19-12(3)21(25)28-20(19)18(10)17)27-22(26)13-6-4-5-7-14(13)23/h4-8,12,16,18-20H,9H2,1-3H3
InChIKey NETASXRBGMXMDT-UHFFFAOYSA-N
Molecular Weight 400.858 g/mol
SMILES C12C3OC(=O)C(C3C(OC(C3=C(Cl)C=CC=C3)=O)CC(=C2C(=O)C=C1C)C)C