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(Z)-4,4-Dimethyl-2-pentenal
SpectraBase Compound ID IiAp5KUz3i8
InChI InChI=1S/C7H12O/c1-7(2,3)5-4-6-8/h4-6H,1-3H3/b5-4-
InChIKey JZJVARRPMMVFRQ-PLNGDYQASA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCqBBVGnJga
Name (Z)-4,4-Dimethyl-2-pentenal
CAS Registry Number 22597-47-3
Comments Less than 3 mono-isotopic peaks
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Formula C7H12O
InChI InChI=1S/C7H12O/c1-7(2,3)5-4-6-8/h4-6H,1-3H3/b5-4-
InChIKey JZJVARRPMMVFRQ-PLNGDYQASA-N
Molecular Weight 112.172 g/mol
SMILES C(\C=C/C(C)(C)C)=O
SPLASH splash10-0002-9200000000-bcc76a762061b8cb10ec
Source of Spectrum K-115-168-0
Wiley ID 1123302