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Acetate, 3-(acetyloxy)-2-nitro-2-benzylpropyl
SpectraBase Compound ID 6kxZDvMe1ky
InChI InChI=1S/C14H17NO6/c1-11(16)20-9-14(15(18)19,10-21-12(2)17)8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
InChIKey CDPCICKHIWMGLY-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HXVgrpA9as
Name 3-(Acetyloxy)-2-benzyl-2-nitropropyl acetate
CAS Registry Number 114454-69-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c1-11(16)20-9-14(15(18)19,10-21-12(2)17)8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
InChIKey CDPCICKHIWMGLY-UHFFFAOYSA-N
Molecular Weight 295.291 g/mol
SMILES c1(ccccc1)CC(COC(C)=O)(COC(C)=O)N(=O)=O
SPLASH splash10-004l-5900000000-f3a6abfe8bfa9525b393
Source of Spectrum H-71-10-3
Synonyms Acetate, 3-(acetyloxy)-2-nitro-2-benzylpropyl Acetic acid [2-(acetyloxymethyl)-2-nitro-3-phenylpropyl] ester [2-(acetyloxymethyl)-2-nitro-3-phenylpropyl] acetate [2-(acetoxymethyl)-2-nitro-3-phenyl-propyl] acetate [2-(acetyloxymethyl)-2-nitro-3-phenyl-propyl] ethanoate
Wiley ID 1298058