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Trans-(S)-benzoic acid 2-nitroso-3-phenypropyl ester dimer
SpectraBase Compound ID DWIcbxuHJlE
InChI InChI=1S/C32H30N2O6/c35-31(27-17-9-3-10-18-27)39-23-29(21-25-13-5-1-6-14-25)33(37)34(38)30(22-26-15-7-2-8-16-26)24-40-32(36)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/b34-33+
InChIKey KJCJALMBZUSSHP-JEIPZWNWSA-N
Mol Weight 538.6 g/mol
Molecular Formula C32H30N2O6
Exact Mass 538.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOTntQvBPcA
Name trans-(S)-Benzoic acid 2-nitroso-3-phenypropyl ester dimer
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30N2O6
InChI InChI=1S/C32H30N2O6/c35-31(27-17-9-3-10-18-27)39-23-29(21-25-13-5-1-6-14-25)33(37)34(38)30(22-26-15-7-2-8-16-26)24-40-32(36)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/b34-33+
InChIKey KJCJALMBZUSSHP-JEIPZWNWSA-N
Molecular Weight 538.600 g/mol
SMILES C(\[N+](=[N+]\(C(COC(=O)c1ccccc1)Cc1ccccc1)[O-])[O-])(COC(=O)c1ccccc1)Cc1ccccc1
SPLASH splash10-0a7l-4900000000-3a1552be3288aa69d1d4
Source of Spectrum F-67-2093-12b
Wiley ID 1685972