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4-[(3-Nitrobenzoyl)oxy]-2-butynyl 3-nitrobenzoate
SpectraBase Compound ID cJuoDmyyP4
InChI InChI=1S/C18H12N2O8/c21-17(13-5-3-7-15(11-13)19(23)24)27-9-1-2-10-28-18(22)14-6-4-8-16(12-14)20(25)26/h3-8,11-12H,9-10H2
InChIKey ATQBLDVRTSDZAH-UHFFFAOYSA-N
Mol Weight 384.3 g/mol
Molecular Formula C18H12N2O8
Exact Mass 384.059365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6KMZg2ZcpN
Name 4-[(3-Nitrobenzoyl)oxy]-2-butynyl 3-nitrobenzoate
CAS Registry Number 55709-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O8
InChI InChI=1S/C18H12N2O8/c21-17(13-5-3-7-15(11-13)19(23)24)27-9-1-2-10-28-18(22)14-6-4-8-16(12-14)20(25)26/h3-8,11-12H,9-10H2
InChIKey ATQBLDVRTSDZAH-UHFFFAOYSA-N
Molecular Weight 384.300 g/mol
SMILES c1cc(N(=O)=O)cc(C(OCC#CCOC(c2cc(N(=O)=O)ccc2)=O)=O)c1
SPLASH splash10-0udi-4900000000-fbd28020c3094ac78fb7
Source of Spectrum AD-0-2532-0
Synonyms 3-Nitrobenzoic acid 4-(3-nitrobenzoyl)oxybut-2-ynyl ester 3-Nitrobenzoic acid 4-[(3-nitrophenyl)-oxomethoxy]but-2-ynyl ester 4-(3-nitrobenzoyl)oxybut-2-ynyl 3-nitrobenzoate 4-(3-nitrophenyl)carbonyloxybut-2-ynyl 3-nitrobenzoate But-2-yne-1,4-diol, O,O'-bis(3-nitrobenzoyl)-
Wiley ID 1419791