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1-(cyclohex-1-en-1-ylethynyl)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 9jYG9FNwW0s
InChI InChI=1S/C23H22FN/c24-20-11-13-21(14-12-20)25-17-16-19-8-4-5-9-22(19)23(25)15-10-18-6-2-1-3-7-18/h4-6,8-9,11-14,23H,1-3,7,16-17H2
InChIKey AICPKDZDTYOCFS-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C23H22FN
Exact Mass 331.173628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IHkW2zy06i
Name 1-(cyclohex-1-en-1-ylethynyl)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22FN
InChI InChI=1S/C23H22FN/c24-20-11-13-21(14-12-20)25-17-16-19-8-4-5-9-22(19)23(25)15-10-18-6-2-1-3-7-18/h4-6,8-9,11-14,23H,1-3,7,16-17H2
InChIKey AICPKDZDTYOCFS-UHFFFAOYSA-N
Molecular Weight 331.434 g/mol
SMILES C1(N(CCc2ccccc12)c1ccc(cc1)F)C#CC1=CCCCC1
SPLASH splash10-0a59-0093000000-429ca17881736e73f5dc
Source of Spectrum GCH-18-826/SM5-3k
Wiley ID 1804009