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Benzene, [1-(1-nitroethyl)-2-heptynyl]-, (R*,R*)-
SpectraBase Compound ID 7qecLzUMOsS
InChI InChI=1S/C15H19NO2/c1-3-4-5-9-12-15(13(2)16(17)18)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5H2,1-2H3/t13-,15-/m1/s1
InChIKey GJEKPJADYRFKPA-UKRRQHHQSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTFeFHDKpJP
Name Benzene, [1-(1-nitroethyl)-2-heptynyl]-, (R*,R*)-
CAS Registry Number 118921-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-3-4-5-9-12-15(13(2)16(17)18)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5H2,1-2H3/t13-,15-/m1/s1
InChIKey GJEKPJADYRFKPA-UKRRQHHQSA-N
Molecular Weight 245.322 g/mol
SMILES [C@@](N(=O)=O)([C@@](C#CCCCC)(c1ccccc1)[H])(C)[H]
SPLASH splash10-002e-1900000000-72d1661588db68219c4d
Source of Spectrum J-54-2395-20
Synonyms {(1R)-1-[(1R)-1-nitroethyl]-2-heptynyl}benzene
Wiley ID 1248121