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Butyl 2-nitro-2-phenylpropanoate

View entire compound with spectra: 1 MS (GC)

Butyl 2-nitro-2-phenylpropanoate
SpectraBase Compound ID J6Vsf9S9r1j
InChI InChI=1S/C13H17NO4/c1-3-4-10-18-12(15)13(2,14(16)17)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey LQEADOZBQQGFDZ-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpLH9ZNhxsn
Name Butyl 2-nitro-2-phenylpropanoate
CAS Registry Number 113747-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-4-10-18-12(15)13(2,14(16)17)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey LQEADOZBQQGFDZ-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES C(N(=O)=O)(C(=O)OCCCC)(c1ccccc1)C
SPLASH splash10-0lk9-3920000000-ecf5ab3526ca5548121d
Source of Spectrum J-53-2325-2
Wiley ID 1254489