Debug Info

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4vsXL99upcF
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4vsXL99upcF
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Dimethyl (+/-)-6,6'-dinitrodiphenate

View entire compound with spectra: 1 MS (GC)

Dimethyl (+/-)-6,6'-dinitrodiphenate
SpectraBase Compound ID CRJuMKmK4dp
InChI InChI=1S/C16H12N2O8/c1-25-15(19)9-5-3-7-11(17(21)22)13(9)14-10(16(20)26-2)6-4-8-12(14)18(23)24/h3-8H,1-2H3
InChIKey VWKXXMPVBIQLRJ-UHFFFAOYSA-N
Mol Weight 360.28 g/mol
Molecular Formula C16H12N2O8
Exact Mass 360.059365 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vsXL99upcF
Name Dimethyl (+/-)-6,6'-dinitrodiphenate
Appearance Colourless needles
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O8
InChI InChI=1S/C16H12N2O8/c1-25-15(19)9-5-3-7-11(17(21)22)13(9)14-10(16(20)26-2)6-4-8-12(14)18(23)24/h3-8H,1-2H3
InChIKey VWKXXMPVBIQLRJ-UHFFFAOYSA-N
Instrument Name VG Micromass 7070F or JEOL JMS-AX505HF
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a15
Molecular Weight 360.278 g/mol
SMILES C(c1c(c(ccc1)[N+](=O)[O-])-c1c(C(OC)=O)cccc1[N+](=O)[O-])(OC)=O
SPLASH splash10-052r-7090000000-6c1c66287ada0878d8f1
Source of Spectrum ARK-2004-162-10
Wiley ID 1875847
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