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1-(N-Methoxycarbonyl-N-3-(1-phenylheptylamino))-2-(O-methoxycarbonyl)-2-(hydroxymethyl)pyrrolidine
SpectraBase Compound ID 4gXTinOs5Oa
InChI InChI=1S/C22H34N2O5/c1-4-5-12-19(15-14-18-10-7-6-8-11-18)24(21(25)27-2)23-16-9-13-20(23)17-29-22(26)28-3/h6-8,10-11,19-20H,4-5,9,12-17H2,1-3H3/t19-,20+/m1/s1
InChIKey YXSXQJUNYXUVGG-UXHICEINSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H34N2O5
Exact Mass 406.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyrQ4yqqqVQ
Name 1-(N-Methoxycarbonyl-N-3-(1-phenylheptylamino))-2-(O-methoxycarbonyl)-2-(hydroxymethyl)pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34N2O5
InChI InChI=1S/C22H34N2O5/c1-4-5-12-19(15-14-18-10-7-6-8-11-18)24(21(25)27-2)23-16-9-13-20(23)17-29-22(26)28-3/h6-8,10-11,19-20H,4-5,9,12-17H2,1-3H3/t19-,20+/m1/s1
InChIKey YXSXQJUNYXUVGG-UXHICEINSA-N
Molecular Weight 406.523 g/mol
SMILES C(N(N1[C@](COC(=O)OC)(CCC1)[H])[C@@](CCc1ccccc1)(CCCC)[H])(=O)OC
SPLASH splash10-0006-2901000000-b2d0e5794c2f26517aa7
Source of Spectrum QC-21-1291-12f
Wiley ID 1688353