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(2S,5R/S)-1-(tert-Butoxycarbonyl)-5-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 7uiNEN6X1q8
InChI InChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h11-12,18H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKey WAZQUILENWWJEZ-KIYNQFGBSA-N
Mol Weight 315.41 g/mol
Molecular Formula C16H29NO5
Exact Mass 315.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rfOSyvk8On
Name (2S,5R/S)-1-(tert-Butoxycarbonyl)-5-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid tert-butyl ester
Appearance Colorless oil
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Formula C16H29NO5
InChI InChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h11-12,18H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKey WAZQUILENWWJEZ-KIYNQFGBSA-N
Instrument Name Finnigan MAT Incos 50 Galaxy
Ionization Type DIP-EI
Molecular Weight 315.410 g/mol
Optical Rotation [a]D20 = -43.3 (c = 0.915, CHCl3)
SMILES OCCC1CC[C@](N1C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[H]
SPLASH splash10-08fr-4910000000-d10f718beaa25aedaf47
Sample Comments mixture of epimers
Source of Spectrum US20110034438A1
Thin-Layer Chromatography Rf = 0.22 (SiO2, EE/CH, 1:2)
Wiley ID 1861637