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4'-Hydroxy-palmarumycin - CP1

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

4'-Hydroxy-palmarumycin - CP1
SpectraBase Compound ID FfrLJXKYWhw
InChI InChI=1S/C20H12O5/c21-13-7-8-17-18-11(13)3-1-6-16(18)24-20(25-17)10-9-15(23)19-12(20)4-2-5-14(19)22/h1-10,21-22H
InChIKey GGVXSPGDDKMPME-UHFFFAOYSA-N
Mol Weight 332.31 g/mol
Molecular Formula C20H12O5
Exact Mass 332.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kni2588kAqz
Name 4'-Hydroxy-palmarumycin - CP1
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.068473481 u
Formula C20H12O5
InChI InChI=1S/C20H12O5/c21-13-7-8-17-18-11(13)3-1-6-16(18)24-20(25-17)10-9-15(23)19-12(20)4-2-5-14(19)22/h1-10,21-22H
InChIKey GGVXSPGDDKMPME-UHFFFAOYSA-N
Molecular Weight 332.311 g/mol
SMILES C12(OC3=C4C(C=CC=C4O2)=C(C=C3)O)C=2C(=C(O)C=CC2)C(C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922781