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(S)-3,7-Dimethyl-3-octyl p-nitrobenzoate
SpectraBase Compound ID KgbErhTPqVv
InChI InChI=1S/C17H25NO4/c1-5-17(4,12-6-7-13(2)3)22-16(19)14-8-10-15(11-9-14)18(20)21/h8-11,13H,5-7,12H2,1-4H3/t17-/m0/s1
InChIKey FPVQLGTUPNNTOQ-KRWDZBQOSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jLb9BI4H
Name (S)-3,7-Dimethyl-3-octyl p-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-5-17(4,12-6-7-13(2)3)22-16(19)14-8-10-15(11-9-14)18(20)21/h8-11,13H,5-7,12H2,1-4H3/t17-/m0/s1
InChIKey FPVQLGTUPNNTOQ-KRWDZBQOSA-N
Molecular Weight 307.390 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@](CCCC(C)C)(CC)C)=O)cc1
SPLASH splash10-0uk9-6900000000-107010dd479006219322
Source of Spectrum KC-0-2236-4
Synonyms (1S)-1-ethyl-1,5-dimethylhexyl 4-nitrobenzoate
Wiley ID 830811