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4-[(E)-(4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl]-benzonitrile
SpectraBase Compound ID 3UuDqdaPB3v
InChI InChI=1S/C18H19NO/c1-17(2)15-8-9-18(17,3)16(20)14(15)10-12-4-6-13(11-19)7-5-12/h4-7,10,15H,8-9H2,1-3H3/b14-10+/t15-,18+/m1/s1
InChIKey JGJIKRRGMRAGEI-GXDHUFHOSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIUOBlRibIF
Name 4-[(E)-(4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl]-benzonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO
InChI InChI=1S/C18H19NO/c1-17(2)15-8-9-18(17,3)16(20)14(15)10-12-4-6-13(11-19)7-5-12/h4-7,10,15H,8-9H2,1-3H3/b14-10+/t15-,18+/m1/s1
InChIKey JGJIKRRGMRAGEI-GXDHUFHOSA-N
Molecular Weight 265.356 g/mol
SMILES CC1([C@@]2(CC[C@@]1(C)C(\C2=C/c1ccc(cc1)C#N)=O)[H])C
SPLASH splash10-0uxr-0490000000-53b24803888110cb53ee
Source of Spectrum J-75-4374-25a
Synonyms 4-((E)-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene)methyl)benzonitrile
Wiley ID 1746598