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1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-3-(1H-indol-3-yl)propan-1-one
SpectraBase Compound ID EQIMZu2GRwd
InChI InChI=1S/C20H23NO/c1-20(2)14-8-9-16(17(20)11-14)19(22)10-7-13-12-21-18-6-4-3-5-15(13)18/h3-6,9,12,14,17,21H,7-8,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKey GVRLURUJRWGOPW-YOEHRIQHSA-N
Mol Weight 293.41 g/mol
Molecular Formula C20H23NO
Exact Mass 293.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2IXhrF1onT
Name 1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-3-(1H-indol-3-yl)propan-1-one
Appearance Yellow oil or foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.177964364 u
Formula C20H23NO
InChI InChI=1S/C20H23NO/c1-20(2)14-8-9-16(17(20)11-14)19(22)10-7-13-12-21-18-6-4-3-5-15(13)18/h3-6,9,12,14,17,21H,7-8,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKey GVRLURUJRWGOPW-YOEHRIQHSA-N
Instrument Name Finnigan Mat 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801846
Molecular Weight 293.410 g/mol
Quality 70
Reported Formula C20H23NO
SMILES N1C=C(C=2C=CC=CC12)CCC(C=1[C@@]2(C[C@@](C2(C)C)(CC1)[H])[H])=O
SPLASH splash10-000x-0890000000-613573588bcd423a7527
Source of Spectrum ACI-57-SM6-4e (DOI: 10.1002/anie.201801846)
Wiley ID 1890927