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4-METHYL-4-NITRO-2-PHENYLPENTANOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-METHYL-4-NITRO-2-PHENYLPENTANOL
SpectraBase Compound ID Gd2D9Y4oB2g
InChI InChI=1S/C12H15NO3/c1-12(2,13(15)16)8-11(9-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey ZLAWDVPIBNFULO-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 AeVngKvIiNO
Name 4-Methyl-4-nitro-2-phenyl-valeraldehyde
Alternate Name(s) 4-Methyl-4-nitro-2-phenylpentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-12(2,13(15)16)8-11(9-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey ZLAWDVPIBNFULO-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES C(N(=O)=O)(CC(c1ccccc1)C=O)(C)C
SPLASH splash10-0a6u-8900000000-3bad209679f3956f4494
Source of Spectrum KC-0-504-5
Wiley ID 783279