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(2Z,5R,6E)-7-(2-Nitrophenyl)hepta-2,6-diene-1,5-diol
SpectraBase Compound ID 1T0Y97xzGkh
InChI InChI=1S/C13H15NO4/c15-10-4-3-6-12(16)9-8-11-5-1-2-7-13(11)14(17)18/h1-5,7-9,12,15-16H,6,10H2/b4-3-,9-8+/t12-/m1/s1
InChIKey SKYPVPOQEJXPPH-YSTNWZAKSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vvrungs9Rc
Name (2Z,5R,6E)-7-(2-Nitrophenyl)hepta-2,6-diene-1,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c15-10-4-3-6-12(16)9-8-11-5-1-2-7-13(11)14(17)18/h1-5,7-9,12,15-16H,6,10H2/b4-3-,9-8+/t12-/m1/s1
InChIKey SKYPVPOQEJXPPH-YSTNWZAKSA-N
Molecular Weight 249.266 g/mol
SMILES O[C@](C\C=C/CO)(\C=C\c1c(N(=O)=O)cccc1)[H]
SPLASH splash10-004i-3900000000-5eeb938d29b1dbab12b9
Source of Spectrum F4-45-1110-12
Synonyms (R,2Z,6E)-7-(2-nitrophenyl)hepta-2,6-diene-1,5-diol
Wiley ID 1734280