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9-[p-(dimethylamino)phenyl]-2,6,7-trihydroxy-3H-xanthen-3-one
SpectraBase Compound ID IMKnv4D1Bbo
InChI InChI=1S/C21H17NO5/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21/h3-10,23-25H,1-2H3
InChIKey JLQIGMKUPIXLLP-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Hx6N9DOPjbU
Name 9-[p-(Dimethylamino)phenyl]-2,6,7-trihydroxy-3H-xanthen-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.110672646 u
Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21/h3-10,23-25H,1-2H3
InChIKey JLQIGMKUPIXLLP-UHFFFAOYSA-N
Molecular Weight 363.369 g/mol
SMILES OC1=CC2=C(C=3C=C(C(=CC3OC2=CC1=O)O)O)C=1C=CC(=CC1)N(C)C
Spectrum/Structure Validation Score (Raman) 0.855688