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Neopentyl 4-cyanobenzoate

View entire compound with spectra: 1 MS (GC)

Neopentyl 4-cyanobenzoate
SpectraBase Compound ID J1yeiLCS70M
InChI InChI=1S/C13H15NO2/c1-13(2,3)9-16-12(15)11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3
InChIKey QZJKRYNMOMCLHB-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20USvSf2Z5m
Name Neopentyl 4-cyanobenzoate
Alternate Name(s) 4-Cyanobenzoic acid, 2,2-dimethylpropyl ester 4-cyanobenzoic acid 2,2-dimethylpropyl ester 2,2-Dimethylpropyl 4-cyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-13(2,3)9-16-12(15)11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3
InChIKey QZJKRYNMOMCLHB-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C(OC(c1ccc(cc1)C#N)=O)C(C)(C)C
SPLASH splash10-0a59-9500000000-20f303a28a0dedae99f2
Source of Spectrum NP-5-1082-0
Wiley ID 1104603