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(1S,5S,9S)-(+)-5,9-Dimethyl-2'-hydroxy-2-[(1R)-1-phenylethyl]-6,7-benzomorphan
SpectraBase Compound ID JKnVcZSj5ol
InChI InChI=1S/C22H27NO/c1-15-20-14-18-19(10-7-11-21(18)24)22(15,3)12-13-23(20)16(2)17-8-5-4-6-9-17/h4-11,15-16,20,24H,12-14H2,1-3H3/t15-,16-,20+,22+/m1/s1
InChIKey RGEXYMPNAIWDAK-ZDRLFVKYSA-N
Mol Weight 321.46 g/mol
Molecular Formula C22H27NO
Exact Mass 321.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hJwrt4Tszf
Name (1S,5S,9S)-(+)-5,9-Dimethyl-2'-hydroxy-2-[(1R)-1-phenylethyl]-6,7-benzomorphan
Alternate Name(s) (1S,9S,13S)-1,13-dimethyl-10-[(1R)-1-phenylethyl]-10-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-6-ol
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Formula C22H27NO
InChI InChI=1S/C22H27NO/c1-15-20-14-18-19(10-7-11-21(18)24)22(15,3)12-13-23(20)16(2)17-8-5-4-6-9-17/h4-11,15-16,20,24H,12-14H2,1-3H3/t15-,16-,20+,22+/m1/s1
InChIKey RGEXYMPNAIWDAK-ZDRLFVKYSA-N
Molecular Weight 321.464 g/mol
SMILES Oc1c2C[C@@]3(N([C@@](c4ccccc4)(C)[H])CC[C@@](c2ccc1)(C)[C@@]3(C)[H])[H]
SPLASH splash10-0a4i-0109000000-fa020099b57e41f77f99
Source of Spectrum J-58-2056-9
Wiley ID 1321146