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Athamantin

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

Athamantin
SpectraBase Compound ID CyfG7mtBx3s
InChI InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3
InChIKey KPLBOWKEQXYXSD-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JgYiPkO1uyC
Name Athamantin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.199153299 u
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3
InChIKey KPLBOWKEQXYXSD-UHFFFAOYSA-N
Molecular Weight 430.497 g/mol
SMILES C=12C(C(OC2=CC=C2C1OC(C=C2)=O)C(OC(=O)CC(C)C)(C)C)OC(=O)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93033