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9H-Xanthene-9-carboxylic acid, 2-diethylaminoethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

9H-Xanthene-9-carboxylic acid, 2-diethylaminoethyl ester
SpectraBase Compound ID GhDfQ2SYzDg
InChI InChI=1S/C20H23NO3.CH3Br/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;1-2/h5-12,19H,3-4,13-14H2,1-2H3;1H3
InChIKey ZUWDMDWYLWEEDI-UHFFFAOYSA-N
Mol Weight 420.35 g/mol
Molecular Formula C21H26BrNO3
Exact Mass 419.109607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UzaKhE3I3c
Name 9H-Xanthene-9-carboxylic acid, 2-diethylaminoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.109606698 u
Formula C21H26BrNO3
InChI InChI=1S/C20H23NO3.CH3Br/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;1-2/h5-12,19H,3-4,13-14H2,1-2H3;1H3
InChIKey ZUWDMDWYLWEEDI-UHFFFAOYSA-N
Molecular Weight 420.347 g/mol
SMILES CBr.c12ccccc2Oc2c(C1C(=O)OCCN(CC)CC)cccc2