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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 AjvfpLRtt6C
Name 3-(4-(Diethylamino)butoxy)xanthone hydrochloride
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1768959 moved to the Legacy library
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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
Molecular Weight 375.896 g/mol
SMILES Cl.C1(c2ccc(cc2Oc2ccccc12)OCCCCN(CC)CC)=O
SPLASH splash10-000i-0922000000-a46ecf957a14fc77cdd5
Source of Spectrum APC-342-23-6
Synonyms 3-(4-(diethylamino)butoxy)-9H-xanthen-9-one hydrochloride
Wiley ID 1821059