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2-Nitrocinnamic acid tert-butylester
SpectraBase Compound ID Kl8BcmLMXP1
InChI InChI=1S/C13H15NO4/c1-13(2,3)18-12(15)9-8-10-6-4-5-7-11(10)14(16)17/h4-9H,1-3H3
InChIKey MYRISIZVHWDISO-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HAHCD1xpqy
Name 2-Nitrocinnamic acid tert-butylester
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-13(2,3)18-12(15)9-8-10-6-4-5-7-11(10)14(16)17/h4-9H,1-3H3
InChIKey MYRISIZVHWDISO-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.43
Molecular Weight 249.266 g/mol
SMILES c1([N+](=O)[O-])c(cccc1)C=CC(OC(C)(C)C)=O
SPLASH splash10-057i-4900000000-474ee65ed3f50aaa5627
Source of Spectrum BJO-6-SM6-5ac
Wiley ID 1871654