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23,222 molecules found

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• (1-butylindol-3-yl)-phenylmethanone Molecule

  InChIKey	BPAZJXCSOZNXAY-UHFFFAOYSA-N
  Molecular Formula	C19H19NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobe... Molecule

  InChIKey	CONWAEURSVPLRM-UHFFFAOYSA-N
  Molecular Formula	C19H15ClF3NO7

  

  
  

  Related Dataset(s)

  • Lactofen; LC-ESI-QTOF; MS; POSITIVE
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
  • Lactofen; LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
  • Lactofen; LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+
  • Lactofen; LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
  • Lactofen; LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
  • Lactofen; LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+

• (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium Molecule

  InChIKey	RCMRLMJSJGLGEU-UHFFFAOYSA-N
  Molecular Formula	[C23H24O2P]+

  

  
  

  Related Dataset(s)

  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 40 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 20 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 70 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 50 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 90 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 60 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 140 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 120 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 110 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 80 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 100 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 40 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 30 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 10 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 130 V
  • 1-(Ethoxycarbonyl)ethyltriphenylphosphonium; LC-ESI-QTOF; MS2; 150 V

• (1-ethylcyclohexyl) 3-oxobutanoate Molecule

  InChIKey	AOJQJEGJPJOEOG-UHFFFAOYSA-N
  Molecular Formula	C12H20O3

  

  
  

  Related Dataset(s)

  • 1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE; EI-B; MS

• (1-ethynylcyclohexyl) carbamate Molecule

  InChIKey	GXRZIMHKGDIBEW-UHFFFAOYSA-N
  Molecular Formula	C9H13NO2

  

  
  

  Related Dataset(s)

  • ETHINAMATE; CI-B; MS
  • ETHYNAMATE ETHYNYLCYCLOHEXYL CARBAMATE; EI-B; MS

• (1-hexadecoxy-3-trimethylsilyloxypropan-2-yl)oxy-trimethylsilane Molecule

  InChIKey	DDZWTAIRKULPRO-UHFFFAOYSA-N
  Molecular Formula	C25H56O3Si2

  

  
  

  Related Dataset(s)

  • 1-O-HEXADECYLGLYCEROL 2,3-DITRIMETHYLSILYLETHER; EI-B; MS
  • 1-HEXADECYL-2,3-DITRIMETHYLSILYLGLYCEROL; EI-B; MS
  • 1-O-HEXADECYLGLYCEROL 2,3-DITRIMETHYLSILYLETHER; EI-B; MS

• (1-hydroxy-1-phosphonoethyl)phosphonic acid Molecule

  InChIKey	DBVJJBKOTRCVKF-UHFFFAOYSA-N
  Molecular Formula	C2H8O7P2

  

  
  

  Related Dataset(s)

  • 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2
  • Etidronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
  • 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2
  • Etidronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
  • Etidronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
  • Etidronic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
  • 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2
  • 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2
  • Etidronic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

• (1-methoxy-2-methylprop-1-enoxy)-trimethylsilane Molecule

  InChIKey	JNOGVQJEBGEKMG-UHFFFAOYSA-N
  Molecular Formula	C8H18O2Si

  

  
  

  Related Dataset(s)

  • 1-METHOXY-1-TRIMETHYLSILOXY-2-METHYLPROPENE; EI-B; MS

• (1-methoxy-2-oxatricyclo[5.2.1.04,10]decan-6-yl)methanol Molecule

  InChIKey	QNFPXFUJNCJJHW-UHFFFAOYSA-N
  Molecular Formula	C11H18O3

  

  
  

  Related Dataset(s)

  • 6-HYDROXYMETHYL-1-METHOXY-2-OXATRICYCLO(5.2.1.0(4,10))DECANE; EI-B; MS

• (1-methyl-2-oxoquinolin-4-yl) benzoate Molecule

  InChIKey	PWOZFWCPCCAGPJ-UHFFFAOYSA-N
  Molecular Formula	C17H13NO3

  

  
  

  Related Dataset(s)

  • electrospray ionisation mass spectrometry (ESMS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H--1H correlation spectroscopy (1H-1H COSY)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

• (1-methyl-4-prop-1-en-2-ylcyclohexyl) acetate Molecule

  InChIKey	URVNHQCLMBMWIW-UHFFFAOYSA-N
  Molecular Formula	C12H20O2

  

  
  

  Related Dataset(s)

  • BETA-TERPINYL ACETATE; EI-B; MS

• (1-methyl-4-propan-2-ylcyclohexyl) 1-benzylpyrrolidine-3-carboxylate Molecule

  InChIKey	ULEFDVPTRAHPIR-UHFFFAOYSA-N
  Molecular Formula	C22H33NO2

  

  
  

  Related Dataset(s)

  • N-BENZYL-3-MENTHOXYCARBONYLPYRROLIDINE; EI-B; MS

• (1-methyl-5-nitroimidazol-2-yl)methyl carbamate Molecule

  InChIKey	PQFRTXSWDXZRRS-UHFFFAOYSA-N
  Molecular Formula	C6H8N4O4

  

  
  

  Related Dataset(s)

  • Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.1 eV; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
  • Ronidazole; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+

• (1-methylindol-2-yl)-phenylmethanone Molecule

  InChIKey	NMPRIZDUHXAJTF-UHFFFAOYSA-N
  Molecular Formula	C16H13NO

  

  
  

  Related Dataset(s)

  • 2-BENZOYL-1-METHYLINDOLE; EI-B; MS

• (1-methylindol-3-yl)-phenylmethanone Molecule

  InChIKey	STRIBORQTQQOGQ-UHFFFAOYSA-N
  Molecular Formula	C16H13NO

  

  
  

  Related Dataset(s)

  • 3-BENZOYL-1-METHYLINDOLE; EI-B; MS

• (1-octylindol-3-yl)-phenylmethanone Molecule

  InChIKey	IIBBKOJOJPNZAF-UHFFFAOYSA-N
  Molecular Formula	C23H27NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-pentylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone Molecule

  InChIKey	FARAZPVIFYGKMX-UHFFFAOYSA-N
  Molecular Formula	C21H20F3NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-pentylindol-3-yl)-phenylmethanone Molecule

  InChIKey	IBURWEBQGDMTKZ-UHFFFAOYSA-N
  Molecular Formula	C20H21NO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1-quinoxalin-2-yltriazol-4-yl)methanol Molecule

  InChIKey	YEBFONFGCJEMAG-UHFFFAOYSA-N
  Molecular Formula	C11H9N5O

  

  
  

  Related Dataset(s)

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

• (1-quinoxalin-2-yltriazol-4-yl)methyl acetate Molecule

  InChIKey	DGJCBVVQEVQILV-UHFFFAOYSA-N
  Molecular Formula	C13H11N5O2

  

  
  

  Related Dataset(s)

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

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