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(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzoate

View entire compound with spectra: 1 MS (GC)

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzoate
SpectraBase Compound ID 27vK79fybrZ
InChI InChI=1S/C13H15NO6/c1-13(2)19-8-11(20-13)7-18-12(15)9-3-5-10(6-4-9)14(16)17/h3-6,11H,7-8H2,1-2H3
InChIKey NKDPWBPFSRNLRK-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C13H15NO6
Exact Mass 281.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlQGQVAB00n
Name (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Benzoic acid, 4-nitro-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CAS Registry Number 61656-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO6
InChI InChI=1S/C13H15NO6/c1-13(2)19-8-11(20-13)7-18-12(15)9-3-5-10(6-4-9)14(16)17/h3-6,11H,7-8H2,1-2H3
InChIKey NKDPWBPFSRNLRK-UHFFFAOYSA-N
Molecular Weight 281.264 g/mol
SMILES CC1(OC(COC(c2ccc(N(=O)=O)cc2)=O)CO1)C
SPLASH splash10-0udl-9500000000-57162780bfc726f0cdb2
Source of Spectrum AD-0-2532-0
Wiley ID 1421632