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N-(2-bromo-5-phenylmethoxyphenyl)-N-[(E)-4-(phenylthio)but-2-enyl]carbamic acid tert-butyl ester
SpectraBase Compound ID GOSgbxVYSsY
InChI InChI=1S/C28H30BrNO3S/c1-28(2,3)33-27(31)30(18-10-11-19-34-24-14-8-5-9-15-24)26-20-23(16-17-25(26)29)32-21-22-12-6-4-7-13-22/h4-17,20H,18-19,21H2,1-3H3/b11-10+
InChIKey HICNGLLHHASDLB-ZHACJKMWSA-N
Mol Weight 540.52 g/mol
Molecular Formula C28H30BrNO3S
Exact Mass 539.112978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqH5sDgmoAh
Name N-(2-bromo-5-phenylmethoxyphenyl)-N-[(E)-4-(phenylthio)but-2-enyl]carbamic acid tert-butyl ester
CAS Registry Number 119879-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30BrNO3S
InChI InChI=1S/C28H30BrNO3S/c1-28(2,3)33-27(31)30(18-10-11-19-34-24-14-8-5-9-15-24)26-20-23(16-17-25(26)29)32-21-22-12-6-4-7-13-22/h4-17,20H,18-19,21H2,1-3H3/b11-10+
InChIKey HICNGLLHHASDLB-ZHACJKMWSA-N
Molecular Weight 540.516 g/mol
SMILES C(N(c1cc(OCc2ccccc2)ccc1Br)C\C=C\CSc1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-052f-9000000000-3be2de7eabf36ef949f6
Source of Spectrum C-112-5236-15
Synonyms N-(5-benzoxy-2-bromo-phenyl)-N-[(E)-4-(phenylthio)but-2-enyl]carbamic acid tert-butyl ester tert-Butyl N-(2-bromanyl-5-phenylmethoxy-phenyl)-N-[(E)-4-phenylsulfanylbut-2-enyl]carbamate tert-Butyl N-(2-bromo-5-phenylmethoxyphenyl)-N-[(E)-4-phenylsulfanylbut-2-enyl]carbamate tert-Butyl N-(5-benzyloxy-2-bromo-phenyl)-N-[(E)-4-phenylsulfanylbut-2-enyl]carbamate
Wiley ID 1404458