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2-(1-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylhex-2-enenitrile
SpectraBase Compound ID CJBrdbWfaJK
InChI InChI=1S/C17H21NO/c1-3-7-13(2)16(12-18)17(19)11-6-9-14-8-4-5-10-15(14)17/h4-5,8,10,19H,3,6-7,9,11H2,1-2H3
InChIKey YPIXZPIQXOTBCW-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAP6XmH7Uzp
Name 2-(1-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylhex-2-enenitrile
Appearance Colorless oil
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Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-3-7-13(2)16(12-18)17(19)11-6-9-14-8-4-5-10-15(14)17/h4-5,8,10,19H,3,6-7,9,11H2,1-2H3
InChIKey YPIXZPIQXOTBCW-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 255.361 g/mol
Reported Formula C17H21NO
SMILES OC1(CCCc2c1cccc2)C(C#N)=C(CCC)C
SPLASH splash10-0002-1900000000-d6550494dc001f6b3268
Sample Comments Z/E = 58:42
Source of Spectrum ACI-60-SM36-10cq
Wiley ID 1880384