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23,358 molecules found

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• methyl 4-cyano-2-iodobenzoate Molecule

  InChIKey	BXYAANQVTNCINX-UHFFFAOYSA-N
  Molecular Formula	C9H6INO2

  

  
  

  Related Dataset(s)

  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• methyl 4-dimethoxyphosphorylbenzoate Molecule

  InChIKey	QJGWDEWFFPKFQG-UHFFFAOYSA-N
  Molecular Formula	C10H13O5P

  

  
  

  Related Dataset(s)

  • heteronuclear single quantum coherence (HSQC)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • 31P nuclear magnetic resonance spectroscopy (31P NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• methyl 4-ethoxy-2-[3-(4-ethoxy-5-methoxycarbonyl-1,3-thiazol-2-yl)phenyl]-1,3... Molecule

  InChIKey	OMBVCHPBXKBKBC-UHFFFAOYSA-N
  Molecular Formula	C20H20N2O6S2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• methyl 4-ethylsulfanylcarbonylbenzoate Molecule

  InChIKey	HTFMWPWAIRYQIG-UHFFFAOYSA-N
  Molecular Formula	C11H12O3S

  

  
  

  Related Dataset(s)

  • S-Ethyl (4-methoxycarbonyl)benzothioate; GC-EI-TOF; MS; POSITIVE; 70 V

• methyl 4-formyl-3,5-bis(2-trimethylsilylethynyl)benzoate Molecule

  InChIKey	GSKISMWCZLPOLM-UHFFFAOYSA-N
  Molecular Formula	C19H24O3Si2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• methyl 4-formylazulene-1-carboxylate Molecule

  InChIKey	JGADTJRHGIFPNG-UHFFFAOYSA-N
  Molecular Formula	C13H10O3

  

  
  

  Related Dataset(s)

  • 1-CARBOMETHOXY-4-FORMYLAZULENE; EI-B; MS
  • 1-CARBOMETHOXY-4-FORMYLAZULENE; EI-B; MS

• methyl 4-formylbenzoate Molecule

  InChIKey	FEIOASZZURHTHB-UHFFFAOYSA-N
  Molecular Formula	C9H8O3

  

  
  

  Related Dataset(s)

  • TEREPHTHALALDEHYDIC ACID METHYL ESTER; EI-B; MS

• methyl 4-hydroxy-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydr... Molecule

  InChIKey	NGOLMNWQNHWEKU-UHFFFAOYSA-N
  Molecular Formula	C24H24O7

  

  
  

  Related Dataset(s)

  • Butyrolactone I; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
  • Butyrolactone I; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
  • Butyrolactone I; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
  • Butyrolactone I; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
  • Butyrolactone I; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-

• methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate Molecule

  InChIKey	UCGSEFPFVKCJLI-UHFFFAOYSA-N
  Molecular Formula	C12H16O4

  

  
  

  Related Dataset(s)

  • METHYL 4-HYDROXY-2-METHOXY-3,5,6-TRIMETHYLBENZOATE; EI-B; MS

• methyl 4-hydroxy-2-methoxy-6-methylbenzoate Molecule

  InChIKey	ZGYSDRFXXJOWGZ-UHFFFAOYSA-N
  Molecular Formula	C10H12O4

  

  
  

  Related Dataset(s)

  • METHYL 4-HYDROXY-2-METHOXY-6-METHYLBENZOATE; EI-B; MS

• methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2... Molecule

  InChIKey	AEKPZNDJHWFONI-UHFFFAOYSA-N
  Molecular Formula	C19H16O7

  

  
  

  Related Dataset(s)

  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
  • Butyrolactone II; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

• methyl 4-hydroxy-3-methoxybenzoate Molecule

  InChIKey	BVWTXUYLKBHMOX-UHFFFAOYSA-N
  Molecular Formula	C9H10O4

  

  
  

  Related Dataset(s)

  • 4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS
  • METHYL 4-HYDROXY-3-METHOXYBENZOATE; EI-B; MS

• methyl 4-hydroxybenzoate Molecule

  InChIKey	LXCFILQKKLGQFO-UHFFFAOYSA-N
  Molecular Formula	C8H8O3

  

  
  

  Related Dataset(s)

  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 110 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 70 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 70 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 140 V
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M]+
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 120 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 150 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 30 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 20 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 10 V
  • METHYL 4-HYDROXYBENZOATE; EI-B; MS
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 40 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 50 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 40 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 60 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 20 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 30 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 10 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.1 eV; R=35000; [M-H]-
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 40 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 40 V
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 50 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 80 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: Ramp 16.3-24.5 eV; R=35000; [M+H]+
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
  • 4-HYDROXYBENZOIC ACID METHYL ESTER; EI-B; MS
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 100 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 60 V
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 90 V
  • Methylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
  • METHYL PARA HYDROXY BENZOATE; EI-B; MS
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
  • Methyl 4-hydroxybenzoate; LC-ESI-QTOF; MS2; 130 V
  • Methyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

• methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]be... Molecule

  InChIKey	VWGAYSCWLXQJBQ-UHFFFAOYSA-N
  Molecular Formula	C14H14IN5O6S

  

  
  

  Related Dataset(s)

  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
  • Iodosulfuron-methyl; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+

• methyl 4-iodobenzoate Molecule

  InChIKey	DYUWQWMXZHDZOR-UHFFFAOYSA-N
  Molecular Formula	C8H7IO2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• methyl 4-methoxy-3-(4-methoxycarbonylphenoxy)benzoate Molecule

  InChIKey	DJUWZELLSVEECO-UHFFFAOYSA-N
  Molecular Formula	C17H16O6

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • gas chromatography-mass spectrometry (GCMS)

• methyl 4-methoxybenzoate Molecule

  InChIKey	DDIZAANNODHTRB-UHFFFAOYSA-N
  Molecular Formula	C9H10O3

  

  
  

  Related Dataset(s)

  • Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 10; [M+H]+
  • Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
  • PARA-ANISIC ACID METHYL ESTER; EI-B; MS
  • METHYL 4-METHOXYBENZOATE; EI-B; MS
  • 4-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate Molecule

  InChIKey	FFCCBBNQPIMUJI-UHFFFAOYSA-N
  Molecular Formula	C16H20N2O3

  

  
  

  Related Dataset(s)

  • Imazamethabenz-methyl; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
  • Imazamethabenz-methyl; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
  • Imazamethabenz-methyl; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
  • Imazamethabenz-methyl; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+

• methyl 4-methyl-2-[[2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetyl... Molecule

  InChIKey	SBSHDGZXHMFZMV-UHFFFAOYSA-N
  Molecular Formula	C25H27F3N2O3

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• methyl 4-methylbenzenesulfonate Molecule

  InChIKey	VUQUOGPMUUJORT-UHFFFAOYSA-N
  Molecular Formula	C8H10O3S

  

  
  

  Related Dataset(s)

  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
  • Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

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