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[(1S,3aR,4S,5R,7aS)-1-ethyl-5-ethynyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone
SpectraBase Compound ID 18cIUNQzGDl
InChI InChI=1S/C18H21NO/c1-3-12-7-10-15-14(12)9-8-13(4-2)17(15)18(20)16-6-5-11-19-16/h2,5-6,8-9,11-15,17,19H,3,7,10H2,1H3/t12-,13+,14+,15+,17+/m0/s1
InChIKey FLQHVKJRQUILNV-ZAPJKBGESA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHHHmk8dKEL
Name [(1S,3aR,4S,5R,7aS)-1-ethyl-5-ethynyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone
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Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-3-12-7-10-15-14(12)9-8-13(4-2)17(15)18(20)16-6-5-11-19-16/h2,5-6,8-9,11-15,17,19H,3,7,10H2,1H3/t12-,13+,14+,15+,17+/m0/s1
InChIKey FLQHVKJRQUILNV-ZAPJKBGESA-N
Molecular Weight 267.372 g/mol
SMILES [nH]1cccc1C([C@]1([C@]2([C@](C=C[C@]1(C#C)[H])([C@@](CC)(CC2)[H])[H])[H])[H])=O
SPLASH splash10-00di-9050000000-6276990a8fbfc284318d
Source of Spectrum J-59-346-42
Wiley ID 1271437