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3-(4-(tert-Butyl)phenyl)-2-chloro-2-methyl propanal
SpectraBase Compound ID 7z1SARpxSlw
InChI InChI=1S/C14H19ClO/c1-13(2,3)12-7-5-11(6-8-12)9-14(4,15)10-16/h5-8,10H,9H2,1-4H3
InChIKey VGQISKUYFZGCQH-UHFFFAOYSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NYy2T4in21
Name 3-(4-(tert-Butyl)phenyl)-2-chloro-2-methyl propanal
Classification Phenylpropanes
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 238.112442931 u
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c1-13(2,3)12-7-5-11(6-8-12)9-14(4,15)10-16/h5-8,10H,9H2,1-4H3
InChIKey VGQISKUYFZGCQH-UHFFFAOYSA-N
Molecular Weight 238.758 g/mol
Number of Peaks 13
SMILES CC(Cc1ccc(cc1)C(C)(C)C)(Cl)C=O
SPLASH splash10-0002-0940000000-3c61682827dda455e91f
Source of Spectrum FF-28-318-10a (DOI: 10.1002/ffj.3168)
Synonyms 3-(4-(tert-butyl)phenyl)-2-chloro-2-methylpropanal
Wiley ID 1775618