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2-(2-Nitro-2-cyclohexen-1-yl)-1-phenylethanone
SpectraBase Compound ID AzQ4qwq5UUO
InChI InChI=1S/C14H15NO3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-3,6-7,9,12H,4-5,8,10H2
InChIKey XPZXVXMIZKAREI-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ihIZLjey3S
Name 2-(2-Nitro-2-cyclohexen-1-yl)-1-phenylethanone
CAS Registry Number 129967-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-3,6-7,9,12H,4-5,8,10H2
InChIKey XPZXVXMIZKAREI-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES c1(ccccc1)C(=O)CC1CCCC=C1N(=O)=O
SPLASH splash10-0a4i-6900000000-650541bface34ddf7b6d
Synonyms 1-Ethanone, 1-phenyl-2-(2-nitro-2-cyclohexenyl)- 2-(2-nitro-1-cyclohex-2-enyl)-1-phenylethanone 2-(2-nitrocyclohex-2-en-1-yl)-1-phenyl-ethanone
Wiley ID 1477804