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Cyclohexaneacetic acid, 2-(cyanomethyl)-1-hydroxy-2-(3-methoxyphenyl)-, ethyl ester
SpectraBase Compound ID FpFOniJJck
InChI InChI=1S/C19H25NO4/c1-3-24-17(21)14-19(22)10-5-4-9-18(19,11-12-20)15-7-6-8-16(13-15)23-2/h6-8,13,22H,3-5,9-11,14H2,1-2H3
InChIKey BZGORLZDZOTMGZ-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33xixMyr672
Name Cyclohexaneacetic acid, 2-(cyanomethyl)-1-hydroxy-2-(3-methoxyphenyl)-, ethyl ester
CAS Registry Number 65090-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-3-24-17(21)14-19(22)10-5-4-9-18(19,11-12-20)15-7-6-8-16(13-15)23-2/h6-8,13,22H,3-5,9-11,14H2,1-2H3
InChIKey BZGORLZDZOTMGZ-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES OC1(C(c2cc(OC)ccc2)(CC#N)CCCC1)CC(=O)OCC
SPLASH splash10-05fu-1921000000-f9535487a005267ced92
Source of Spectrum H-60-1938-0
Synonyms 1-Ethoxycarbonylmethyl-2-(cyanomethyl)-1-hydroxy-2-(m-methoxyphenyl)-cyclohexane Ethyl[2-(cyanomethyl)-1-hydroxy-2-(3-methoxyphenyl)cyclohexyl]acetate
Wiley ID 1328746