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(3R,4aR,8aR)-2-Benzyl-3-methyl-octahydro-isoquinolin-4-one
SpectraBase Compound ID CvY4HajfMsc
InChI InChI=1S/C17H23NO/c1-13-17(19)16-10-6-5-9-15(16)12-18(13)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16-/m1/s1
InChIKey ZKAYUQVGQBHIBJ-VNQPRFMTSA-N
Mol Weight 257.38 g/mol
Molecular Formula C17H23NO
Exact Mass 257.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Izc1iWNd1BV
Name (3R,4aR,8aR)-2-Benzyl-3-methyl-octahydro-isoquinolin-4-one
Alternate Name(s) (3R,4aR,8aR)-2-benzyl-3-methyloctahydro-4(1H)-isoquinolinone N-Benzyl-3-methylisoquinolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO
InChI InChI=1S/C17H23NO/c1-13-17(19)16-10-6-5-9-15(16)12-18(13)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16-/m1/s1
InChIKey ZKAYUQVGQBHIBJ-VNQPRFMTSA-N
Molecular Weight 257.377 g/mol
SMILES [C@]1(N(C[C@]2([C@](C1=O)(CCCC2)[H])[H])Cc1ccccc1)(C)[H]
SPLASH splash10-03di-0090000000-7867829c4d6874ba8f85
Source of Spectrum F-52-3217-41
Wiley ID 795593