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trans-6-chloro-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
SpectraBase Compound ID 1S38G9xedXc
InChI InChI=1S/C16H22ClNO2/c1-16(2)15(19)14(18-8-4-3-5-9-18)12-10-11(17)6-7-13(12)20-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey MZBDWRNLELCFLL-LSDHHAIUSA-N
Mol Weight 295.81 g/mol
Molecular Formula C16H22ClNO2
Exact Mass 295.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dc0myUeQgYn
Name trans-6-chloro-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
Alternate Name(s) (3R,4S)-6-chloro-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClNO2
InChI InChI=1S/C16H22ClNO2/c1-16(2)15(19)14(18-8-4-3-5-9-18)12-10-11(17)6-7-13(12)20-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey MZBDWRNLELCFLL-LSDHHAIUSA-N
Molecular Weight 295.810 g/mol
SMILES O[C@@]1([C@](c2c(OC1(C)C)ccc(c2)Cl)(N1CCCCC1)[H])[H]
SPLASH splash10-00e9-9180000000-ca09937889b217804338
Source of Spectrum O-20-442-46
Wiley ID 1298178