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(3S,4R,5S)-4-(Furan-2-yl)-3-methyl-5-nitrocyclohex-1-ene-carbaldehyde
SpectraBase Compound ID Hb6HdLruqZY
InChI InChI=1S/C12H13NO4/c1-8-5-9(7-14)6-10(13(15)16)12(8)11-3-2-4-17-11/h2-5,7-8,10,12H,6H2,1H3/t8-,10-,12+/m0/s1
InChIKey SISCMVPUSPKDOM-PTOFAABTSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuqZAosNlX1
Name (3S,4R,5S)-4-(Furan-2-yl)-3-methyl-5-nitrocyclohex-1-ene-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-8-5-9(7-14)6-10(13(15)16)12(8)11-3-2-4-17-11/h2-5,7-8,10,12H,6H2,1H3/t8-,10-,12+/m0/s1
InChIKey SISCMVPUSPKDOM-PTOFAABTSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 235.239 g/mol
SMILES C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(c1occc1)[H])(C)[H])C=O
SPLASH splash10-001i-9300000000-4b2e2d5dc3f85f2df221
Source of Spectrum ASC-350-267/SM9-6ac
Synonyms (3S,4R,5S)-4-(furan-2-yl)-3-methyl-5-nitrocyclohex-1-enecarbaldehyde
Wiley ID 1766012