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(1S,5S,9S)-(+)-5,9-Dimethyl-2-[(1R)-1-phenylethyl]-6,7-benzomorphan
SpectraBase Compound ID 4apkVKIMR75
InChI InChI=1S/C22H27N/c1-16-21-15-19-11-7-8-12-20(19)22(16,3)13-14-23(21)17(2)18-9-5-4-6-10-18/h4-12,16-17,21H,13-15H2,1-3H3/t16-,17?,21+,22+/m1/s1
InChIKey OFOIAQFNNRPCGN-KRRWSJHKSA-N
Mol Weight 305.47 g/mol
Molecular Formula C22H27N
Exact Mass 305.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VmX8u48Ckm
Name (1S,5S,9S)-(+)-5,9-Dimethyl-2-[(1R)-1-phenylethyl]-6,7-benzomorphan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N
InChI InChI=1S/C22H27N/c1-16-21-15-19-11-7-8-12-20(19)22(16,3)13-14-23(21)17(2)18-9-5-4-6-10-18/h4-12,16-17,21H,13-15H2,1-3H3/t16-,17?,21+,22+/m1/s1
InChIKey OFOIAQFNNRPCGN-KRRWSJHKSA-N
Molecular Weight 305.465 g/mol
SMILES [C@@]12(N(CC[C@@]([C@@]2(C)[H])(c2ccccc2C1)C)C(c1ccccc1)C)[H]
SPLASH splash10-0006-0191000000-7172976f18b789c1fc9d
Source of Spectrum J-58-2056-9
Wiley ID 1307545