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1,5-Hexanediol, bis(4-nitrobenzoate), (R)-
SpectraBase Compound ID 7hvtixwwYSK
InChI InChI=1S/C20H20N2O8/c1-14(30-20(24)16-7-11-18(12-8-16)22(27)28)4-2-3-13-29-19(23)15-5-9-17(10-6-15)21(25)26/h5-12,14H,2-4,13H2,1H3
InChIKey XMXLMZQUCCKULF-UHFFFAOYSA-N
Mol Weight 416.39 g/mol
Molecular Formula C20H20N2O8
Exact Mass 416.121966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYyWCCictiZ
Name 1,5-Hexanediol, bis(4-nitrobenzoate), (R)-
Alternate Name(s) 1,5-Di(4-nitrobenzoyloxy)hexane 5-[(4-nitrobenzoyl)oxy]hexyl 4-nitrobenzoate
CAS Registry Number 56020-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O8
InChI InChI=1S/C20H20N2O8/c1-14(30-20(24)16-7-11-18(12-8-16)22(27)28)4-2-3-13-29-19(23)15-5-9-17(10-6-15)21(25)26/h5-12,14H,2-4,13H2,1H3
InChIKey XMXLMZQUCCKULF-UHFFFAOYSA-N
Molecular Weight 416.386 g/mol
SMILES c1(N(=O)=O)ccc(C(OC(CCCCOC(c2ccc(N(=O)=O)cc2)=O)C)=O)cc1
SPLASH splash10-0ue9-8920000000-c7b0cb40a1ed705d02fa
Source of Spectrum KC-1979-1157-0
Wiley ID 1376235