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Elisabatin B

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

Elisabatin B
SpectraBase Compound ID 3N56Sq5iJrB
InChI InChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3
InChIKey QPEDAMHNYYMCLK-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EL0qmSx5ajQ
Name Elisabatin-B
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.146329882 u
Formula C20H20O2
InChI InChI=1S/C20H20O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h6-9,21H,1-5H3
InChIKey QPEDAMHNYYMCLK-UHFFFAOYSA-N
Molecular Weight 292.378 g/mol
SMILES C1(=O)C2=C(C=CC3=C(C=C(C=C(C)C)C(C(=C1O)C)=C23)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851096