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2-Isopropyl-3-phenyl-1-butanal
SpectraBase Compound ID J7urfmhz02m
InChI InChI=1S/C13H18O/c1-10(2)13(9-14)11(3)12-7-5-4-6-8-12/h4-11,13H,1-3H3
InChIKey PVHPOOMLDWRPQN-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nKX2PwnRQ9
Name 2-Isopropyl-3-phenyl-1-butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10(2)13(9-14)11(3)12-7-5-4-6-8-12/h4-11,13H,1-3H3
InChIKey PVHPOOMLDWRPQN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701684n
Molecular Weight 190.286 g/mol
SMILES c1cccc(C(C)C(C(C)C)C=O)c1
SPLASH splash10-0a4i-0900000000-bbb4c88d07dbddaa7d7b
Source of Spectrum A1-9-4931/SMS14-minorisomer_3ji
Synonyms 2-Isopropyl-3-phenylbutanal
Wiley ID 1758621