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trans-4-Bromo-5-ethoxy-1,3,3-trimethylpyrrolidin-2-one
SpectraBase Compound ID 7XPTamRiBBW
InChI InChI=1S/C9H16BrNO2/c1-5-13-7-6(10)9(2,3)8(12)11(7)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKey MVUBMAJYGSMCOS-RNFRBKRXSA-N
Mol Weight 250.14 g/mol
Molecular Formula C9H16BrNO2
Exact Mass 249.036442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tl8PNAE3h5
Name trans-4-Bromo-5-ethoxy-1,3,3-trimethylpyrrolidin-2-one
Alternate Name(s) (4S,5R)-4-bromo-5-ethoxy-1,3,3-trimethyl-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16BrNO2
InChI InChI=1S/C9H16BrNO2/c1-5-13-7-6(10)9(2,3)8(12)11(7)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKey MVUBMAJYGSMCOS-RNFRBKRXSA-N
Molecular Weight 250.136 g/mol
SMILES C1(N([C@@]([C@](C1(C)C)(Br)[H])(OCC)[H])C)=O
SPLASH splash10-0nmr-4970000000-bdd12ce5011ddde45c88
Source of Spectrum F-51-12787-11
Wiley ID 794194