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Methyl 9(R),10(R)-epoxy-11(S)-[(p-bromobenzoyl)oxy]-12(Z)-octadecenoate
SpectraBase Compound ID BKlB3iXa71Q
InChI InChI=1S/C26H37BrO5/c1-3-4-5-7-10-14-23(32-26(29)20-16-18-21(27)19-17-20)25-22(31-25)13-11-8-6-9-12-15-24(28)30-2/h10,14,16-19,22-23,25H,3-9,11-13,15H2,1-2H3/b14-10-/t22-,23+,25-/m1/s1
InChIKey PZGDGESBWDPLCU-BTPVSYBISA-N
Mol Weight 509.5 g/mol
Molecular Formula C26H37BrO5
Exact Mass 508.182437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p46Nxauau
Name Methyl 9(R),10(R)-epoxy-11(S)-[(p-bromobenzoyl)oxy]-12(Z)-octadecenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37BrO5
InChI InChI=1S/C26H37BrO5/c1-3-4-5-7-10-14-23(32-26(29)20-16-18-21(27)19-17-20)25-22(31-25)13-11-8-6-9-12-15-24(28)30-2/h10,14,16-19,22-23,25H,3-9,11-13,15H2,1-2H3/b14-10-/t22-,23+,25-/m1/s1
InChIKey PZGDGESBWDPLCU-BTPVSYBISA-N
Molecular Weight 509.481 g/mol
SMILES [C@@]1(O[C@@]1(CCCCCCCC(=O)OC)[H])([C@@](OC(c1ccc(cc1)Br)=O)(\C=C/CCCCC)[H])[H]
SPLASH splash10-0540-5900000000-a27b01a4cb4a01a13ce9
Source of Spectrum X2-56-258-16
Synonyms (1S,2Z)-1-[(2R,3R)-3-(8-methoxy-8-oxooctyl)oxiranyl]-2-octenyl 4-bromobenzoate
Wiley ID 1604711