Debug Info

object
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_id
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DHznDKF1cc3
spectrumID
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DHznDKF1cc3
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specType
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131072
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WMS3X:384622:1
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Mass Spectrum (GC)
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Cyclopropanecarboxylic acid, 2-(4-methylphenyl)-1-(4-nitrophenyl)-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID DGyL74VwaKu
InChI InChI=1S/C18H17NO4/c1-12-3-5-13(6-4-12)16-11-18(16,17(20)23-2)14-7-9-15(10-8-14)19(21)22/h3-10,16H,11H2,1-2H3/t16-,18+/m1/s1
InChIKey HBDGOCQIWZZZSC-AEFFLSMTSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHznDKF1cc3
Name Cyclopropanecarboxylic acid, 2-(4-methylphenyl)-1-(4-nitrophenyl)-, methyl ester, cis-(.+-.)-
CAS Registry Number 129919-23-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-12-3-5-13(6-4-12)16-11-18(16,17(20)23-2)14-7-9-15(10-8-14)19(21)22/h3-10,16H,11H2,1-2H3/t16-,18+/m1/s1
InChIKey HBDGOCQIWZZZSC-AEFFLSMTSA-N
Molecular Weight 311.337 g/mol
SMILES [C@]1([C@@](c2ccc(cc2)C)(C1)[H])(C(=O)OC)c1ccc(N(=O)=O)cc1
SPLASH splash10-0imr-0495000000-a5aaa971cadd5e165981
Source of Spectrum C-112-7701-23
Synonyms Methyl (1R,2R)-2-(4-methylphenyl)-1-(4-nitrophenyl)cyclopropanecarboxylate syn-1-(p-nitrophenyl)-2-(p-methyl-phenyl)-1-(methoxycarbonyl)cyclopropane
Wiley ID 1312497
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