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Ammothamnidin

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ammothamnidin
SpectraBase Compound ID roxT00WnyG
InChI InChI=1S/C25H28O4/c1-16(2)9-10-19(17(3)4)15-21-24(28)14-12-20(25(21)29)23(27)13-11-18-7-5-6-8-22(18)26/h5-9,11-14,26,28-29H,10,15H2,1-4H3/b13-11+
InChIKey RUMVTCNESMARDN-ACCUITESSA-N
Mol Weight 392.5 g/mol
Molecular Formula C25H28O4
Exact Mass 392.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Mg4SbfiYyR
Name Ammothamnidin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.198759378 u
Formula C25H28O4
InChI InChI=1S/C25H28O4/c1-16(2)9-10-19(17(3)4)15-21-24(28)14-12-20(25(21)29)23(27)13-11-18-7-5-6-8-22(18)26/h5-9,11-14,26,28-29H,10,15H2,1-4H3/b13-11+
InChIKey RUMVTCNESMARDN-ACCUITESSA-N
Molecular Weight 392.495 g/mol
SMILES C1(=C(C(C(\C=C\C=2C(O)=CC=CC2)=O)=CC=C1O)O)CC(=C(C)C)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93676