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cis,cis-N-(tolylsulfonyl)-3-hydroxy-4-methylpyrrolidine-2-acetic acid lactone
SpectraBase Compound ID AwLcm1GQEe0
InChI InChI=1S/C14H17NO4S/c1-9-3-5-11(6-4-9)20(17,18)15-8-10(2)14-12(15)7-13(16)19-14/h3-6,10,12,14H,7-8H2,1-2H3/t10-,12+,14+/m0/s1
InChIKey IWSPWQWORCOCNG-ZKYQVNSYSA-N
Mol Weight 295.35 g/mol
Molecular Formula C14H17NO4S
Exact Mass 295.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I42tR4Ec7j4
Name cis,cis-N-(tolylsulfonyl)-3-hydroxy-4-methylpyrrolidine-2-acetic acid lactone
Alternate Name(s) (3aR,6S,6aR)-6-methyl-4-[(4-methylphenyl)sulfonyl]hexahydro-2H-furo[3,2-b]pyrrol-2-one
CAS Registry Number 116781-99-8
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4S
InChI InChI=1S/C14H17NO4S/c1-9-3-5-11(6-4-9)20(17,18)15-8-10(2)14-12(15)7-13(16)19-14/h3-6,10,12,14H,7-8H2,1-2H3/t10-,12+,14+/m0/s1
InChIKey IWSPWQWORCOCNG-ZKYQVNSYSA-N
Molecular Weight 295.353 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)C[C@@]([C@]1(OC(C2)=O)[H])(C)[H])[H]
SPLASH splash10-001r-9000000000-f65659e4567abf65c06e
Source of Spectrum J-53-5738-2
Wiley ID 1298048