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Benzene, [4,4-dimethyl-1-(1-nitroethyl)-2-pentenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID 9Kx6tN8QFEO
InChI InChI=1S/C15H21NO2/c1-12(16(17)18)14(10-11-15(2,3)4)13-8-6-5-7-9-13/h5-12,14H,1-4H3/b11-10+/t12-,14-/m1/s1
InChIKey GWCLDLWXQVCSSH-KCHUQEOMSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGKUq2MDhBq
Name Benzene, [4,4-dimethyl-1-(1-nitroethyl)-2-pentenyl]-, [R*,S*-(E)]-
CAS Registry Number 119729-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-12(16(17)18)14(10-11-15(2,3)4)13-8-6-5-7-9-13/h5-12,14H,1-4H3/b11-10+/t12-,14-/m1/s1
InChIKey GWCLDLWXQVCSSH-KCHUQEOMSA-N
Molecular Weight 247.338 g/mol
SMILES [C@@](N(=O)=O)([C@@](\C=C\C(C)(C)C)(c1ccccc1)[H])(C)[H]
SPLASH splash10-053f-2910000000-91ed85fd1b6f414529ff
Source of Spectrum F-43-5415-3
Synonyms Threo-2,2-dimethyl-6-nitro-5-phenylhept-3-ene {(1S,2E)-4,4-dimethyl-1-[(1R)-1-nitroethyl]-2-pentenyl}benzene
Wiley ID 1250147