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Cyclopropanecarboxylic acid, 2,2,3-trimethyl-1-(4-nitrophenyl)-, 2-cyanoethyl ester, cis-(.+-.)-
SpectraBase Compound ID E4YHBar0J7t
InChI InChI=1S/C16H18N2O4/c1-11-15(2,3)16(11,14(19)22-10-4-9-17)12-5-7-13(8-6-12)18(20)21/h5-8,11H,4,10H2,1-3H3/t11-,16-/m1/s1
InChIKey OSEVAAVOJPXJDH-BDJLRTHQSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n4BKeMdBm6
Name Cyclopropanecarboxylic acid, 2,2,3-trimethyl-1-(4-nitrophenyl)-, 2-cyanoethyl ester, cis-(.+-.)-
CAS Registry Number 129919-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-11-15(2,3)16(11,14(19)22-10-4-9-17)12-5-7-13(8-6-12)18(20)21/h5-8,11H,4,10H2,1-3H3/t11-,16-/m1/s1
InChIKey OSEVAAVOJPXJDH-BDJLRTHQSA-N
Molecular Weight 302.330 g/mol
SMILES [C@]1(C(C)(C)[C@]1(C)[H])(C(=O)OCCC#N)c1ccc(N(=O)=O)cc1
SPLASH splash10-0a4r-4691000000-0a7c81f5cb9b833822e6
Source of Spectrum C-112-7701-4
Synonyms 2-cyanoethyl (1R,3R)-2,2,3-trimethyl-1-(4-nitrophenyl)cyclopropanecarboxylate syn-1,1,2-trimethyl-3-(cyano-ethoxy-carbonyl)-3-(p-nitrophenyl)-cyclopropane
Wiley ID 1304567