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Ganhuangemin, pentakismethyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

Ganhuangemin, pentakismethyl ether
SpectraBase Compound ID 6E0NWc2AzTE
InChI InChI=1S/C20H22O7/c1-22-11-9-14(25-4)16-15(10-11)27-19(20(26-5)18(16)21)17-12(23-2)7-6-8-13(17)24-3/h6-10,19-20H,1-5H3/t19-,20+/m1/s1
InChIKey SYLLBZVMSOPMCI-UXHICEINSA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7qUOw0YUCY3
Name Ganhuangemin, pentakismethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.136553041 u
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-22-11-9-14(25-4)16-15(10-11)27-19(20(26-5)18(16)21)17-12(23-2)7-6-8-13(17)24-3/h6-10,19-20H,1-5H3/t19-,20+/m1/s1
InChIKey SYLLBZVMSOPMCI-UXHICEINSA-N
Molecular Weight 374.389 g/mol
SMILES [C@@]1([C@](C(=O)C2=C(C=C(C=C2O1)OC)OC)(OC)[H])(C1=C(C=CC=C1OC)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970474