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3-(4-(Diethylamino)butoxy)xanthone hydrochloride
SpectraBase Compound ID JB67PngTTWx
InChI InChI=1S/C21H25NO3.ClH/c1-3-22(4-2)13-7-8-14-24-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)23;/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3;1H
InChIKey FDZFCRGVPSQESS-UHFFFAOYSA-N
Mol Weight 375.9 g/mol
Molecular Formula C21H26ClNO3
Exact Mass 375.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZglMrR3TFo
Name 3-(4-(Diethylamino)butoxy)xanthone hydrochloride
Alternate Name(s) 3-(4-(diethylamino)butoxy)-9H-xanthen-9-one hydrochloride
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821059
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Formula C21H26ClNO3
InChI InChI=1S/C21H25NO3.ClH/c1-3-22(4-2)13-7-8-14-24-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)23;/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3;1H
InChIKey FDZFCRGVPSQESS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200800002
Molecular Weight 375.896 g/mol
SMILES Cl.C1(c2ccc(cc2Oc2ccccc12)OCCCCN(CC)CC)=O
SPLASH splash10-000i-9000000000-a832458d288c059c5970
Source of Spectrum APC-342-23-6
Wiley ID 1768959