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1-Pyrrolidinecarboxylic acid, 3-hydroxy-2-(iodomethyl)-4,4-dimethyl-, methyl ester, cis-
SpectraBase Compound ID H1VI7EaRTr1
InChI InChI=1S/C9H16INO3/c1-9(2)5-11(8(13)14-3)6(4-10)7(9)12/h6-7,12H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey RQVQZQVFNQZZJT-RQJHMYQMSA-N
Mol Weight 313.14 g/mol
Molecular Formula C9H16INO3
Exact Mass 313.017488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28qOiNeDgWV
Name 1-Pyrrolidinecarboxylic acid, 3-hydroxy-2-(iodomethyl)-4,4-dimethyl-, methyl ester, cis-
CAS Registry Number 117754-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16INO3
InChI InChI=1S/C9H16INO3/c1-9(2)5-11(8(13)14-3)6(4-10)7(9)12/h6-7,12H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey RQVQZQVFNQZZJT-RQJHMYQMSA-N
Molecular Weight 313.135 g/mol
SMILES O[C@]1([C@](N(C(=O)OC)CC1(C)C)(CI)[H])[H]
SPLASH splash10-03dr-0900000000-1a15cb01b0686f728908
Source of Spectrum J-53-5499-10
Synonyms cis-N-(methoxycarbonyl)-2-(iodomethyl)-3-hydroxy-4,4-dimethylpyrrolidine Methyl (2S,3R)-3-hydroxy-2-(iodomethyl)-4,4-dimethyl-1-pyrrolidinecarboxylate
Wiley ID 1313998