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(4aR,5S,10aS)-N-(4-chlorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID Ak5keChACbM
InChI InChI=1S/C18H18ClNO2/c19-12-7-9-13(10-8-12)20-17-14-4-1-2-6-16(14)22-18-15(17)5-3-11-21-18/h1-2,4,6-10,15,17-18,20H,3,5,11H2/t15-,17-,18+/m1/s1
InChIKey YGDSILVGKSTRMZ-NXHRZFHOSA-N
Mol Weight 315.8 g/mol
Molecular Formula C18H18ClNO2
Exact Mass 315.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqt51HWZtcD
Name (4aR,5S,10aS)-N-(4-chlorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
Alternate Name(s) (4aR,5S,10aS)-N-(4-chlorophenyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromen-5-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO2
InChI InChI=1S/C18H18ClNO2/c19-12-7-9-13(10-8-12)20-17-14-4-1-2-6-16(14)22-18-15(17)5-3-11-21-18/h1-2,4,6-10,15,17-18,20H,3,5,11H2/t15-,17-,18+/m1/s1
InChIKey YGDSILVGKSTRMZ-NXHRZFHOSA-N
Literature Reference DOI 10.1002/rcm.3239
Molecular Weight 315.800 g/mol
SMILES N([C@]1([C@@]2([C@](Oc3c1cccc3)(OCCC2)[H])[H])[H])c1ccc(cc1)Cl
SPLASH splash10-001i-1693000000-94f501e2c25575323954
Source of Spectrum RCM-21-3513-10
Wiley ID 1814366