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(R)-1-Oxotridecan-2-yl (Z)-2-bromobut-2-enoate
SpectraBase Compound ID GbMPZXqEpBg
InChI InChI=1S/C17H29BrO3/c1-3-5-6-7-8-9-10-11-12-13-15(14-19)21-17(20)16(18)4-2/h4,14-15H,3,5-13H2,1-2H3/b16-4-/t15-/m1/s1
InChIKey QALPCKFDANJYDR-WRFWZHEZSA-N
Mol Weight 361.32 g/mol
Molecular Formula C17H29BrO3
Exact Mass 360.130008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33EDTzJRqa
Name (R)-1-Oxotridecan-2-yl (Z)-2-bromobut-2-enoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.130007791 u
Formula C17H29BrO3
InChI InChI=1S/C17H29BrO3/c1-3-5-6-7-8-9-10-11-12-13-15(14-19)21-17(20)16(18)4-2/h4,14-15H,3,5-13H2,1-2H3/b16-4-/t15-/m1/s1
InChIKey QALPCKFDANJYDR-WRFWZHEZSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 361.320 g/mol
Optical Rotation [a]D20 = +20.0 (c = 0.89, CH2Cl2)
Quality 235
Reported Formula C17H29O3Br
SMILES C(=O)[C@@](CCCCCCCCCCC)(OC(\C(=C\C)Br)=O)[H]
SPLASH splash10-000b-4900000000-4e22fd53683a5e499e79
Source of Spectrum QE-21-SM90-S9 (DOI: 10.1002/chem.201501491)
Wiley ID 1906772