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[(1S,2S,3R)-3-(methoxymethoxy)-2-nitrocyclohexyl]-acetate
SpectraBase Compound ID D8QpboJUMS5
InChI InChI=1S/C10H17NO6/c1-16-6-17-8-4-2-3-7(5-9(12)13)10(8)11(14)15/h7-8,10H,2-6H2,1H3,(H,12,13)/t7-,8+,10-/m0/s1
InChIKey QRNYDLXKPLLFAA-XKSSXDPKSA-N
Mol Weight 247.25 g/mol
Molecular Formula C10H17NO6
Exact Mass 247.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sqoSsSnoTO
Name [(1S,2S,3R)-3-(methoxymethoxy)-2-nitrocyclohexyl]-acetate
Alternate Name(s) [(1S,2S,3R)-3-(methoxymethoxy)-2-nitrocyclohexyl]acetic acid
CAS Registry Number 114455-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO6
InChI InChI=1S/C10H17NO6/c1-16-6-17-8-4-2-3-7(5-9(12)13)10(8)11(14)15/h7-8,10H,2-6H2,1H3,(H,12,13)/t7-,8+,10-/m0/s1
InChIKey QRNYDLXKPLLFAA-XKSSXDPKSA-N
Molecular Weight 247.247 g/mol
SMILES OC(C[C@]1([C@](N(=O)=O)([C@](OCOC)(CCC1)[H])[H])[H])=O
SPLASH splash10-0002-9000000000-3004f760667938e89a86
Source of Spectrum H-71-15-25
Wiley ID 1249757