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rac-2-(((5R,8S)-5-iso-Propyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetonitrile
SpectraBase Compound ID GFSncqbzdMS
InChI InChI=1S/C17H23NO/c1-11(2)14-6-5-12(3)15-10-17(19-8-7-18)13(4)9-16(14)15/h9-12,14H,5-6,8H2,1-4H3/t12-,14+/m0/s1
InChIKey MPJIIKHOZWNEAR-GXTWGEPZSA-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 2iyu0FbobvV
Name rac-2-(((5R,8S)-5-iso-Propyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)acetonitrile
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.177964364 u
Formula C17H23NO
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C17H23NO/c1-11(2)14-6-5-12(3)15-10-17(19-8-7-18)13(4)9-16(14)15/h9-12,14H,5-6,8H2,1-4H3/t12-,14+/m0/s1
InChIKey MPJIIKHOZWNEAR-GXTWGEPZSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 257.377 g/mol
Quality 237
SMILES C1=2[C@@](C(C)C)(CC[C@](C)(C2C=C(C(C)=C1)OCC#N)[H])[H]
SPLASH splash10-03di-1590000000-15ac7af8b4be18e894a5
Sample Comments dr = 86:14
Source of Spectrum K1-2022-SM55-rac-32 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.5 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1898714