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(R)-(+)-3-Methyl-3-(4-methylphenyl)-4-oxopentanal

View entire compound with spectra: 1 MS (GC)

(R)-(+)-3-Methyl-3-(4-methylphenyl)-4-oxopentanal
SpectraBase Compound ID E5v6GFQCXsi
InChI InChI=1S/C13H16O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,9H,8H2,1-3H3/t13-/m0/s1
InChIKey KBXNGAURAKQTDX-ZDUSSCGKSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RejX3qPpQN
Name (R)-(+)-3-Methyl-3-(4-methylphenyl)-4-oxopentanal
Alternate Name(s) (3R)-3-methyl-3-(4-methylphenyl)-4-oxopentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,9H,8H2,1-3H3/t13-/m0/s1
InChIKey KBXNGAURAKQTDX-ZDUSSCGKSA-N
Molecular Weight 204.269 g/mol
SMILES [C@@](C(=O)C)(c1ccc(cc1)C)(CC=O)C
SPLASH splash10-0006-7900000000-adb4626116e7b8d69426
Source of Spectrum J-57-3471-29
Wiley ID 1202145