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(3S,6S,7aR)-3-isopropyl-7a-methyl-5-oxo-6-methyl-6-(p-bromobenzyl)-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
SpectraBase Compound ID L0R9Ls5Ww6u
InChI InChI=1S/C18H24BrNO2/c1-12(2)15-10-22-18(4)11-17(3,16(21)20(15)18)9-13-5-7-14(19)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-,17+,18-/m1/s1
InChIKey ZMPCWOJGMZYRQP-BPQIPLTHSA-N
Mol Weight 366.3 g/mol
Molecular Formula C18H24BrNO2
Exact Mass 365.099042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6FUqRcwe13
Name (3S,6S,7aR)-3-isopropyl-7a-methyl-5-oxo-6-methyl-6-(p-bromobenzyl)-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
CAS Registry Number 126062-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24BrNO2
InChI InChI=1S/C18H24BrNO2/c1-12(2)15-10-22-18(4)11-17(3,16(21)20(15)18)9-13-5-7-14(19)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-,17+,18-/m1/s1
InChIKey ZMPCWOJGMZYRQP-BPQIPLTHSA-N
Molecular Weight 366.299 g/mol
SMILES [C@@]12(N([C@](CO2)(C(C)C)[H])C([C@](C1)(Cc1ccc(cc1)Br)C)=O)C
SPLASH splash10-001i-7409000000-e71b6b17aa076adfc3f5
Source of Spectrum J-55-3141-5
Synonyms (3S,6S,7aR)-6-(4-bromobenzyl)-3-isopropyl-6,7a-dimethyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
Wiley ID 1351349