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2-Acetyl-1-oxo-1H-inden-3-yl 4-nitrobenzoate
SpectraBase Compound ID 8oXR3tBMRhM
InChI InChI=1S/C18H11NO6/c1-10(20)15-16(21)13-4-2-3-5-14(13)17(15)25-18(22)11-6-8-12(9-7-11)19(23)24/h2-9H,1H3
InChIKey KVGWNDWTDIFTQA-UHFFFAOYSA-N
Mol Weight 337.29 g/mol
Molecular Formula C18H11NO6
Exact Mass 337.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46RoQtXDj3I
Name 2-Acetyl-1-oxo-1H-inden-3-yl 4-nitrobenzoate
Alternate Name(s) (2-acetyl-3-oxo-inden-1-yl) 4-nitrobenzoate (2-ethanoyl-3-oxidanylidene-inden-1-yl) 4-nitrobenzoate 4-Nitrobenzoic acid (2-acetyl-3-keto-inden-1-yl) ester 4-Nitrobenzoic acid (2-acetyl-3-oxo-1-indenyl) ester Benzoic acid, 4-nitro-, (2-acetyl-1-oxo-3-indenyl) ester
CAS Registry Number 331945-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11NO6
InChI InChI=1S/C18H11NO6/c1-10(20)15-16(21)13-4-2-3-5-14(13)17(15)25-18(22)11-6-8-12(9-7-11)19(23)24/h2-9H,1H3
InChIKey KVGWNDWTDIFTQA-UHFFFAOYSA-N
Molecular Weight 337.287 g/mol
SMILES c1cc2c(cc1)C(=C(C2=O)C(C)=O)OC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0udi-3900000000-0535e1abbea53572eee6
Source of Spectrum AD-0-2532-0
Wiley ID 1424697