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Cyclooctanecarboxylic acid, 5-nitro-2-oxo-, methyl ester, trans-
SpectraBase Compound ID AsxuqNAjgJW
InChI InChI=1S/C10H15NO5/c1-16-10(13)8-4-2-3-7(11(14)15)5-6-9(8)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey PBPXTLZGTPLBEL-HTQZYQBOSA-N
Mol Weight 229.23 g/mol
Molecular Formula C10H15NO5
Exact Mass 229.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2yU4rVFi64
Name Cyclooctanecarboxylic acid, 5-nitro-2-oxo-, methyl ester, trans-
CAS Registry Number 89950-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO5
InChI InChI=1S/C10H15NO5/c1-16-10(13)8-4-2-3-7(11(14)15)5-6-9(8)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey PBPXTLZGTPLBEL-HTQZYQBOSA-N
Molecular Weight 229.232 g/mol
SMILES [C@@]1(N(=O)=O)(CCC(=O)[C@@](CCC1)(C(=O)OC)[H])[H]
SPLASH splash10-052f-9100000000-6a2af6c5d94cfbb0d80a
Source of Spectrum H-67-252-0
Wiley ID 1230566