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6-Hydroxy-3,4-dihydro-2-(3-isopropylamino-2-hydroxypropyloxy)ethyl-2h-1-benzopyran

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

6-Hydroxy-3,4-dihydro-2-(3-isopropylamino-2-hydroxypropyloxy)ethyl-2h-1-benzopyran
SpectraBase Compound ID 10ZQeqfG8eq
InChI InChI=1S/C21H35NO4/c1-13(2)22-11-17(23)12-25-10-9-21(6)8-7-18-16(5)19(24)14(3)15(4)20(18)26-21/h13,17,22-24H,7-12H2,1-6H3
InChIKey APMGJFMVYQXFIP-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H35NO4
Exact Mass 365.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Oz3ZbDBRlj
Name 6-Hydroxy-3,4-dihydro-2-(3-isopropylamino-2-hydroxypropyloxy)ethyl-2H-1-benzopyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.256608607 u
Formula C21H35NO4
InChI InChI=1S/C21H35NO4/c1-13(2)22-11-17(23)12-25-10-9-21(6)8-7-18-16(5)19(24)14(3)15(4)20(18)26-21/h13,17,22-24H,7-12H2,1-6H3
InChIKey APMGJFMVYQXFIP-UHFFFAOYSA-N
Molecular Weight 365.514 g/mol
SMILES C1(CCC=2C(O1)=C(C(=C(C2C)O)C)C)(CCOCC(CNC(C)C)O)C