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23,345 molecules found

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• methyl 4-octoxybenzoate Molecule

  InChIKey	JCVLYBQFVTYGKT-UHFFFAOYSA-N
  Molecular Formula	C16H24O3

  

  
  

  Related Dataset(s)

  • 4-OCTYLOXYBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-octylbenzoate Molecule

  InChIKey	NKSKNAWLKUQLNY-UHFFFAOYSA-N
  Molecular Formula	C16H24O2

  

  
  

  Related Dataset(s)

  • 4-OCTYLBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-oxo-1-trimethylsilyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1-carbox... Molecule

  InChIKey	COQGSBQFSUFWIR-UHFFFAOYSA-N
  Molecular Formula	C15H26O3Si

  

  
  

  Related Dataset(s)

  • METHYL 3,4,4A,5,6,7,8,8A-OCTAHYDRO-4-TRIMETHYLSILYLNAPHTHALEN-1(2H)-ONE-4-CARBOXYLATE; EI-B; MS

• methyl 4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate Molecule

  InChIKey	JPFUEZPXKCRLTQ-UHFFFAOYSA-N
  Molecular Formula	C12H18O3

  

  
  

  Related Dataset(s)

  • METHYL 4(3H)-OXO-1,2,4AALPHA,5,6,7,8,8ABETA-OCTAHYDRONAPHTHALENE-1BETA-CARBOXYLATE; EI-B; MS

• methyl 4-oxopentanoate Molecule

  InChIKey	UAGJVSRUFNSIHR-UHFFFAOYSA-N
  Molecular Formula	C6H10O3

  

  
  

  Related Dataset(s)

  • METHYL LEVULINATE; EI-B; MS
  • METHYL LEVULINATE; EI-B; MS
  • 4-OXOVALERIC ACID METHYL ESTER; EI-B; MS
  • METHYL LEVULINATE; EI-B; MS

• methyl 4-oxotricyclo[4.3.0.01,5]nonane-5-carboxylate Molecule

  InChIKey	JHOMMICRSSKRMH-UHFFFAOYSA-N
  Molecular Formula	C11H14O3

  

  
  

  Related Dataset(s)

  • METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE; EI-B; MS

• methyl 4-pentylbenzoate Molecule

  InChIKey	STDGBCHZHMQCAE-UHFFFAOYSA-N
  Molecular Formula	C13H18O2

  

  
  

  Related Dataset(s)

  • 4-N-AMYLBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-phenylbutanoate Molecule

  InChIKey	YRYZGVBKMWFWGT-UHFFFAOYSA-N
  Molecular Formula	C11H14O2

  

  
  

  Related Dataset(s)

  • 4-PHENYLBUTYRIC ACID METHYL ESTER; EI-B; MS

• methyl 4-propoxybenzoate Molecule

  InChIKey	OXOTVVQIIASDNF-UHFFFAOYSA-N
  Molecular Formula	C11H14O3

  

  
  

  Related Dataset(s)

  • 4-PROPOXYBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-propylbenzoate Molecule

  InChIKey	RXFJHVNBEFFCJX-UHFFFAOYSA-N
  Molecular Formula	C11H14O2

  

  
  

  Related Dataset(s)

  • 4-PROPYLBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 4-sulfamoylbenzoate Molecule

  InChIKey	XLOVNJUCAFIANM-UHFFFAOYSA-N
  Molecular Formula	C8H9NO4S

  

  
  

  Related Dataset(s)

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

• methyl 4-tert-butylbenzoate Molecule

  InChIKey	UPIJOAFHOIWPLT-UHFFFAOYSA-N
  Molecular Formula	C12H16O2

  

  
  

  Related Dataset(s)

  • 4-TERT-BUTYLBENZOIC ACID METHYL ESTER; EI-B; MS

• methyl 5,10-dihydrophenazine-1-carboxylate Molecule

  InChIKey	COHAWUIBTRRGHL-UHFFFAOYSA-N
  Molecular Formula	C14H12N2O2

  

  
  

  Related Dataset(s)

  • 1-METHOXYCARBONYL-5,10-DIHYDROPHENAZINE; EI-B; MS

• methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofura... Molecule

  InChIKey	LUBKKVGXMXTXOZ-UHFFFAOYSA-N
  Molecular Formula	C17H12Cl2O7

  

  
  

  Related Dataset(s)

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

• methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate Molecule

  InChIKey	JSQAILNRMPHAGO-UHFFFAOYSA-N
  Molecular Formula	C15H10O8

  

  
  

  Related Dataset(s)

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

• methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Molecule

  InChIKey	SUSRORUBZHMPCO-UHFFFAOYSA-N
  Molecular Formula	C14H9Cl2NO5

  

  
  

  Related Dataset(s)

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

• methyl 5-(3-methyloxiran-2-yl)pyridine-2-carboxylate Molecule

  InChIKey	DLDOQXDHLFJKLM-UHFFFAOYSA-N
  Molecular Formula	C10H11NO3

  

  
  

  Related Dataset(s)

  • 1314534-36-5[5]
  • 1314534-36-5[8]
  • 1314534-36-5[4]
  • 1314534-36-5[3]
  • 1314534-36-5[2]
  • 1314534-36-5[1]
  • 1314534-36-5[6]
  • 1314534-36-5[7]

• methyl 5-(3-undecyloxiran-2-yl)pentanoate Molecule

  InChIKey	XZBRNQGAEDOQPT-UHFFFAOYSA-N
  Molecular Formula	C19H36O3

  

  
  

  Related Dataset(s)

  • 6,7-EPOXYOCTADECANOIC ACID METHYL ESTER; EI-B; MS
  • 6,7-EPOXYOCTADECANOIC ACID METHYL ESTER; EI-B; MS

• methyl 5-(4-methylphenyl)-5-oxopentanoate Molecule

  InChIKey	ZDNCBAZITMJOTD-UHFFFAOYSA-N
  Molecular Formula	C13H16O3

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)
  • distortionless enhancement with polarization transfer (DEPT)

• methyl 5-(cyclopenten-1-yl)-3-oxopentanoate Molecule

  InChIKey	XIEUINFEKFZBLX-UHFFFAOYSA-N
  Molecular Formula	C11H16O3

  

  
  

  Related Dataset(s)

  • METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE; EI-B; MS

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