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JWH-018 Adamantyl analog

View entire compound with spectra: 3 FTIR, 1 Raman, and 6 MS (GC)

JWH-018 Adamantyl analog
SpectraBase Compound ID E99JOg2BCC2
InChI InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3/t17-,18+,19-,24-
InChIKey SHWDYCMMUPPWQM-PCFUMONKSA-N
Mol Weight 349.52 g/mol
Molecular Formula C24H31NO
Exact Mass 349.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzydCfcFyFc
Name (1R,3R,5S)-adamantan-1-yl(1-pentyl-1H-indol-3-yl)methanone
Alternate Name(s) ((3R,5S)-adamantan-1-yl)(1-pentyl-1H-indol-3-yl)methanone ((1R,3R,5S)-adamantan-1-yl)(1-pentyl-1H-indol-3-yl)methanone
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Formula C24H31NO
InChI InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3/t17-,18+,19-,24-
InChIKey SHWDYCMMUPPWQM-PCFUMONKSA-N
Molecular Weight 349.518 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])C(c1c2c([n](c1)CCCCC)cccc2)=O
SPLASH splash10-000i-1900000000-09dbd7b14085a12c068c
Source of Spectrum Peter Jankovics, et al. Forensic Science International, V.214, 2012, P.27-32
Wiley ID 1816956