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(1E)-5-Nitro-1-phenyl-1-hexen-3-ol
SpectraBase Compound ID DhZKIqWA3e3
InChI InChI=1S/C12H15NO3/c1-10(13(15)16)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,10,12,14H,9H2,1H3/b8-7+
InChIKey BNMMMLDHZYERBL-BQYQJAHWSA-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 KrX5XSnfJUK
Name (1E)-5-Nitro-1-phenyl-1-hexen-3-ol
CAS Registry Number 103077-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-10(13(15)16)9-12(14)8-7-11-5-3-2-4-6-11/h2-8,10,12,14H,9H2,1H3/b8-7+
InChIKey BNMMMLDHZYERBL-BQYQJAHWSA-N
Molecular Weight 221.256 g/mol
SMILES OC(CC(C)N(=O)=O)\C=C\c1ccccc1
SPLASH splash10-003u-9800000000-430c019d80daa22e5ccd
Synonyms (E)-5-nitro-1-phenyl-1-hexen-3-ol (E)-5-nitro-1-phenyl-hex-1-en-3-ol 1-Hexen-3-ol, 5-nitro-1-phenyl-, (R*,R*)-
Wiley ID 1486456