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syn-2-Acetyl-4-methylene-1-(o-nitrophenyl)-5-oxohexan-1-ol
SpectraBase Compound ID ET8bB74jFQz
InChI InChI=1S/C15H17NO5/c1-9(10(2)17)8-13(11(3)18)15(19)12-6-4-5-7-14(12)16(20)21/h4-7,13,15,19H,1,8H2,2-3H3
InChIKey IHZRKENNBWAQIZ-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I75heS3SJWq
Name syn-2-Acetyl-4-methylene-1-(o-nitrophenyl)-5-oxohexan-1-ol
Alternate Name(s) anti-2-Acetyl-4-methylene-1-(o-nitrophenyl)-5-oxohexan-1-ol 3-[hydroxy(2-nitrophenyl)methyl]-5-methylene-2,6-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-9(10(2)17)8-13(11(3)18)15(19)12-6-4-5-7-14(12)16(20)21/h4-7,13,15,19H,1,8H2,2-3H3
InChIKey IHZRKENNBWAQIZ-UHFFFAOYSA-N
Molecular Weight 291.303 g/mol
SMILES OC(C(CC(C(C)=O)=C)C(=O)C)c1c(cccc1)N(=O)=O
SPLASH splash10-0006-9020000000-a70923b8dea6b80a8def
Source of Spectrum KD-2001-834-2
Wiley ID 1519829