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trans-3-Acetyl-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol

View entire compound with spectra: 1 MS (GC)

trans-3-Acetyl-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
SpectraBase Compound ID JHNcR9uclpx
InChI InChI=1S/C18H25NO3/c1-13(20)18(21)16(19-11-7-4-8-12-19)14-9-5-6-10-15(14)22-17(18,2)3/h5-6,9-10,16,21H,4,7-8,11-12H2,1-3H3/t16-,18-/m0/s1
InChIKey GFORQSPNQZIYID-WMZOPIPTSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrkMMXNBW9k
Name trans-3-Acetyl-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
Alternate Name(s) 1-[(3S,4S)-3-hydroxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-3-yl]ethanone trans-36-acetyl-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
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Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-13(20)18(21)16(19-11-7-4-8-12-19)14-9-5-6-10-15(14)22-17(18,2)3/h5-6,9-10,16,21H,4,7-8,11-12H2,1-3H3/t16-,18-/m0/s1
InChIKey GFORQSPNQZIYID-WMZOPIPTSA-N
Molecular Weight 303.402 g/mol
SMILES O[C@]1([C@](c2ccccc2OC1(C)C)(N1CCCCC1)[H])C(=O)C
SPLASH splash10-001i-3290000000-27a81d497b587009589b
Source of Spectrum O-20-442-43
Wiley ID 1305732