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Carbonic acid, (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl octyl ester
SpectraBase Compound ID J6OxTZCcD9c
InChI InChI=1S/C20H30N2O4/c1-3-4-5-6-7-11-14-25-19(24)26-16-20(2)15-22(21-18(20)23)17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey MBCMBYMDHQTOMP-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C20H30N2O4
Exact Mass 362.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CejQeThoMG
Name Carbonic acid, (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O4
InChI InChI=1S/C20H30N2O4/c1-3-4-5-6-7-11-14-25-19(24)26-16-20(2)15-22(21-18(20)23)17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey MBCMBYMDHQTOMP-UHFFFAOYSA-N
Molecular Weight 362.470 g/mol
SMILES N1C(C(CN1c1ccccc1)(COC(OCCCCCCCC)=O)C)=O
SPLASH splash10-0r29-9622000000-c719f3ce9a88d7bbf03f
Source of Spectrum JX-2015-3-1338
Synonyms (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octyl carbonate Carbonic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl octyl ester (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl octyl carbonate (4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl octyl carbonate
Wiley ID 1724831