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4-Methyl-4-nitro-3-phenylpentanal
SpectraBase Compound ID J3m00xsc3S1
InChI InChI=1S/C12H15NO3/c1-12(2,13(15)16)11(8-9-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey JFBRLZHPBCMSGX-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bq0BBeTyA41
Name 4-Methyl-4-nitro-3-phenylpentanal
Alternate Name(s) 4-Methyl-4-nitro-3-phenyl-pentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-12(2,13(15)16)11(8-9-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey JFBRLZHPBCMSGX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600316
Molecular Weight 221.256 g/mol
SMILES C(=O)CC(C([N+](=O)[O-])(C)C)c1ccccc1
SPLASH splash10-001m-0900000000-1acda51150a54b87f2d8
Source of Spectrum ASC-349-745-745_4
Wiley ID 1765509