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(E) 2-(2,2-Dimethylethyl)-1-nitropent-3-ene
SpectraBase Compound ID KjlPfZwzIuC
InChI InChI=1S/C9H17NO2/c1-5-6-8(7-10(11)12)9(2,3)4/h5-6,8H,7H2,1-4H3/b6-5+
InChIKey MXXWOTYZFHBFTN-AATRIKPKSA-N
Mol Weight 171.24 g/mol
Molecular Formula C9H17NO2
Exact Mass 171.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkIiAEI7nTb
Name (E) 2-(2,2-Dimethylethyl)-1-nitropent-3-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO2
InChI InChI=1S/C9H17NO2/c1-5-6-8(7-10(11)12)9(2,3)4/h5-6,8H,7H2,1-4H3/b6-5+
InChIKey MXXWOTYZFHBFTN-AATRIKPKSA-N
Literature Reference DOI 10.1021/ol500114m
Molecular Weight 171.240 g/mol
SMILES C\C=C\C(C[N+](=O)[O-])C(C)(C)C
SPLASH splash10-0aor-9000000000-000495c4ee0e4cb22f9f
Source of Spectrum A1-16-1362/SMS9-2d
Synonyms (E)-5,5-dimethyl-4-(nitromethyl)hex-2-ene
Wiley ID 1749185