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9,10-Ethanoanthracene-9(10H)-ethanol, 2-chloro-.alpha.-[(methylamino)methyl]-, [9.alpha.(R*),10.beta.]-
SpectraBase Compound ID EDyODYmhHNb
InChI InChI=1S/C20H22ClNO/c1-22-12-14(23)11-20-9-8-15(16-4-2-3-5-18(16)20)17-7-6-13(21)10-19(17)20/h2-7,10,14-15,22-23H,8-9,11-12H2,1H3/t14-,15+,20-/m1/s1
InChIKey PEUDNMYHUQWPRW-QEEYODRMSA-N
Mol Weight 327.86 g/mol
Molecular Formula C20H22ClNO
Exact Mass 327.138992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXRBXTbeyky
Name 9,10-Ethanoanthracene-9(10H)-ethanol, 2-chloro-.alpha.-[(methylamino)methyl]-, [9.alpha.(R*),10.beta.]-
CAS Registry Number 94696-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClNO
InChI InChI=1S/C20H22ClNO/c1-22-12-14(23)11-20-9-8-15(16-4-2-3-5-18(16)20)17-7-6-13(21)10-19(17)20/h2-7,10,14-15,22-23H,8-9,11-12H2,1H3/t14-,15+,20-/m1/s1
InChIKey PEUDNMYHUQWPRW-QEEYODRMSA-N
Molecular Weight 327.855 g/mol
SMILES O[C@@](CNC)(C[C@]12c3c(ccc(c3)Cl)[C@](CC1)([H])c1c2cccc1)[H]
SPLASH splash10-0006-9000000000-62528d05305080b696d2
Source of Spectrum H-67-2086-0
Synonyms (2R)-1-[(1R,8S)-4-chlorotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-1-yl]-3-(methylamino)-2-propanol (9R*,2'R*)-2-Chlorooxaprotiline
Wiley ID 1325667