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(S)-(-)-4-Benzyl-3-(2-bromo-7-methyloct-6-enoyl)-5,5-dimethyloxazolidin-2-one
SpectraBase Compound ID 53urmYopL59
InChI InChI=1S/C21H28BrNO3/c1-15(2)10-8-9-13-17(22)19(24)23-18(21(3,4)26-20(23)25)14-16-11-6-5-7-12-16/h5-7,10-12,17-18H,8-9,13-14H2,1-4H3/t17-,18?/m0/s1
InChIKey JVQXBAJLTWUGFQ-ZENAZSQFSA-N
Mol Weight 422.36 g/mol
Molecular Formula C21H28BrNO3
Exact Mass 421.125257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGmq3kJhNvT
Name (S)-(-)-4-Benzyl-3-(2-bromo-7-methyloct-6-enoyl)-5,5-dimethyloxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28BrNO3
InChI InChI=1S/C21H28BrNO3/c1-15(2)10-8-9-13-17(22)19(24)23-18(21(3,4)26-20(23)25)14-16-11-6-5-7-12-16/h5-7,10-12,17-18H,8-9,13-14H2,1-4H3/t17-,18?/m0/s1
InChIKey JVQXBAJLTWUGFQ-ZENAZSQFSA-N
Molecular Weight 422.363 g/mol
SMILES C1(N(C(C(O1)(C)C)Cc1ccccc1)C(=O)[C@@](Br)(CCCC=C(C)C)[H])=O
SPLASH splash10-000i-0944000000-a29fbaf4d56e4efefd14
Source of Spectrum KD-14-2934-1
Synonyms 4-Benzyl-3-[(2S)-2-bromo-7-methyl-6-octenoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
Wiley ID 1636333