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trans-1-benzyl-4-phenyl-3-pyrrolidinecarbonitrile, oxalate(1:1)
SpectraBase Compound ID A0ckKBwNfpL
InChI InChI=1S/C18H18N2.C2H2O4/c19-11-17-13-20(12-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16;3-1(4)2(5)6/h1-10,17-18H,12-14H2;(H,3,4)(H,5,6)/t17-,18+;/s2
InChIKey JIBIQYZKQPBUNR-VYVXBUGPSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Bk9DjtxDYy8
Name trans-1-BENZYL-4-PHENYL-3-PYRROLIDINECARBONITRILE, OXALATE (1:1)
Source of Sample R. Achini, Sandoz Ltd., Basel, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4
InChI InChI=1S/C18H18N2.C2H2O4/c19-11-17-13-20(12-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16;3-1(4)2(5)6/h1-10,17-18H,12-14H2;(H,3,4)(H,5,6)/t17-,18+;/s2
InChIKey JIBIQYZKQPBUNR-VYVXBUGPSA-N
Literature Reference HELV. CHIM. ACTA 64, 2203(1981) Abstract-Chemical Abstracts= 96, 104021(1982)
Melting Point 198-199C
Molecular Weight 352.390015
Synonyms 3-PYRROLIDINECARBONITRILE, 1-BENZYL- 4-PHENYL-, OXALATE /1 TO 1/, TRANS-,
Technique KBr WAFER