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(2R,3R)-2-Methyl-3-nitromethylheptanal
SpectraBase Compound ID EoGfkWYwgx3
InChI InChI=1S/C9H17NO3/c1-3-4-5-9(6-10(12)13)8(2)7-11/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKey APCDRJOPOBZCLM-IUCAKERBSA-N
Mol Weight 187.24 g/mol
Molecular Formula C9H17NO3
Exact Mass 187.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DwRJDvGIoq
Name (2R,3R)-2-Methyl-3-nitromethylheptanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-3-4-5-9(6-10(12)13)8(2)7-11/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKey APCDRJOPOBZCLM-IUCAKERBSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 187.239 g/mol
SMILES C([C@](C)([C@](C[N+](=O)[O-])(CCCC)[H])[H])=O
SPLASH splash10-0a4i-9000000000-b46f34cd77e9b18cfa47
Source of Spectrum ASC-346-1165-13k
Synonyms (2R,3R)-2-methyl-3-(nitromethyl)heptanal
Wiley ID 1767654