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25,361 molecules found

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• nfdi4chem-mol5259 (Unknown Molecule) Molecule

  InChIKey	OXBGVMVPICDYIQ-OCSSWDANSA-N

  

  
  

  Related Dataset(s)

  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[4]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[7]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[2]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[6]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[5]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[1]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[3]
  • S4-6_SODXXIII_113F_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-6[8]

• nfdi4chem-mol5261 (Unknown Molecule) Molecule

  InChIKey	NPGUVEZHCJTRCC-HXUWFJFHSA-N
  Molecular Formula	C20H24O

  

  
  

  Related Dataset(s)

  • fast-atom bombardment mass spectrometry (FABMS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol52632(Unknown Molecule) Molecule

  InChIKey	JSAKRLDIZOGQTN-QURGRASLSA-N
  Molecular Formula	C20H14N2O4S

  

  
  

  Related Dataset(s)

  • C.I. Acid Red 88; ESI-QTOF; MS2; CE: 20; [M-H]-
  • C.I. Acid Red 88; ESI-QTOF; MS2; CE: 10; [M-H]-
  • C.I. Acid Red 88; ESI-QTOF; MS2; CE: 40; [M-H]-

• nfdi4chem-mol5272 (Unknown Molecule) Molecule

  InChIKey	CLNCMKGSIITFTL-VHEBQXMUSA-N
  Molecular Formula	C16H13FN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol52902(Unknown Molecule) Molecule

  InChIKey	NDPBSSRBORGJGZ-UHFFFAOYSA-N
  Molecular Formula	C14H20OSi

  

  
  

  Related Dataset(s)

  • 4-METHOXY-4-PHENYL-3-TRIMETHYLSILYL-1,2-BUTADIENE; EI-B; MS

• nfdi4chem-mol5307 (Unknown Molecule) Molecule

  InChIKey	AXZLIMCJMPNFFU-UHFFFAOYSA-M
  Molecular Formula	C43H56NO5PPdS

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • heteronuclear multiple bond coherence (HMBC)
  • distortionless enhancement with polarization transfer (DEPT)
  • correlation spectroscopy (COSY)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • heteronuclear single quantum coherence (HSQC)

• nfdi4chem-mol53139(Unknown Molecule) Molecule

  InChIKey	MRQIXHXHHPWVIL-ISLYRVAYSA-N
  Molecular Formula	C16H12N2O

  

  
  

  Related Dataset(s)

  • Sudan I; LC-ESI-QTOF; MS2; CE: RAMP 19.8-29.7 eV; R=35000; [M+H]+

• nfdi4chem-mol5317 (Unknown Molecule) Molecule

  InChIKey	NDUGTGLDAZLQQQ-UHFFFAOYSA-N
  Molecular Formula	C42H42N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5323 (Unknown Molecule) Molecule

  InChIKey	JZZVMMDSKUEMHK-IJEKNQBHSA-L
  Molecular Formula	C82H54Fe2N8O5

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • process

• nfdi4chem-mol5324 (Unknown Molecule) Molecule

  InChIKey	VTPIYOLAFDQBFJ-HZJYTTRNSA-N

  

  
  

  Related Dataset(s)

  • linoleamidoethyl formate[7]
  • linoleamidoethyl formate[1]
  • linoleamidoethyl formate[6]
  • linoleamidoethyl formate[2]
  • linoleamidoethyl formate[3]
  • linoleamidoethyl formate[9]
  • linoleamidoethyl formate[5]
  • linoleamidoethyl formate[8]
  • linoleamidoethyl formate[4]

• nfdi4chem-mol5326 (Unknown Molecule) Molecule

  InChIKey	IMIKMGDXEGITOW-UHFFFAOYSA-N
  Molecular Formula	C25H20IN

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)
  • correlation spectroscopy (COSY)
  • distortionless enhancement with polarization transfer (DEPT)
  • heteronuclear single quantum coherence (HSQC)
  • electrospray ionisation quadrupole detection (ESI Q Trap)

• nfdi4chem-mol53352(Unknown Molecule) Molecule

  InChIKey	OYYDSUSKLWTMMQ-UHFFFAOYSA-N
  Molecular Formula	[C25H30NO3]+

  

  
  

  Related Dataset(s)

  • Trospium; LC-ESI-QFT; MS2; CE: 90; R=35000; [M]+
  • Trospium; LC-ESI-QTOF; MS2; 110 V
  • Trospium; LC-ESI-QTOF; MS2; 120 V
  • Trospium; LC-ESI-QFT; MS2; CE: 75; R=35000; [M]+
  • Trospium; LC-ESI-QTOF; MS2; 30 V
  • Trospium; LC-ESI-QTOF; MS2; 100 V
  • Trospium; LC-ESI-QTOF; MS2; 10 V
  • Trospium; LC-ESI-QTOF; MS2; 130 V
  • Trospium; LC-ESI-QTOF; MS2; 40 V
  • Trospium; LC-ESI-QFT; MS2; CE: 30; R=35000; [M]+
  • Trospium; LC-ESI-QTOF; MS2; 80 V
  • Trospium; LC-ESI-QTOF; MS2; 50 V
  • Trospium; LC-ESI-QTOF; MS2; 40 V
  • Trospium; LC-ESI-QTOF; MS2; 60 V
  • Trospium; LC-ESI-QTOF; MS2; 140 V
  • Trospium; LC-ESI-QFT; MS2; CE: 45; R=35000; [M]+
  • Trospium; LC-ESI-QTOF; MS2; 90 V
  • Trospium; LC-ESI-QTOF; MS2; 70 V
  • Trospium; LC-ESI-QTOF; MS2; 20 V
  • Trospium; LC-ESI-QFT; MS2; CE: 60; R=35000; [M]+
  • Trospium; LC-ESI-QTOF; MS2; 150 V
  • Trospium; LC-ESI-QFT; MS2; CE: 15; R=35000; [M]+

• nfdi4chem-mol5344 (Unknown Molecule) Molecule

  InChIKey	NPJICTMALKLTFW-MIVCYVHQSA-N

  

  
  

  Related Dataset(s)

  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
  • Eleutheroside A 400 MHz in DMSOd6 NMR data[EleutherosideA_2960ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]

• nfdi4chem-mol5345 (Unknown Molecule) Molecule

  InChIKey	OIXDETWCKLANII-DEKJKZHBSA-N
  Molecular Formula	C12H14N2O2

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

• nfdi4chem-mol5363 (Unknown Molecule) Molecule

  InChIKey	WNCYTXJNIANWGS-UZWIWUQPSA-N

  

  
  

  Related Dataset(s)

  • 20170307_WHE245915-SOLID-DIME.MP300[PROTON_01.fid]

• nfdi4chem-mol53662(Unknown Molecule) Molecule

  InChIKey	OSGGAEACJZIQGF-UHFFFAOYSA-N
  Molecular Formula	C13H20GeSi

  

  
  

  Related Dataset(s)

  • (DIMETHYL(PHENYLETHYNYL)SILYL)TRIMETHYLGERMANE; EI-B; MS

• nfdi4chem-mol5368 (Unknown Molecule) Molecule

  InChIKey	MKKDUMSLKJQOTQ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 3b_JCAMP[3b_HEE318.jdx]

• nfdi4chem-mol5369 (Unknown Molecule) Molecule

  InChIKey	CGMBXCFLOYQFKR-HKBQPEDESA-N

  

  
  

  Related Dataset(s)

  • butyl PC success[3]

• nfdi4chem-mol5371 (Unknown Molecule) Molecule

  InChIKey	NMWAAPDYNRKNCN-IIBWNCHYSA-N
  Molecular Formula	C54H48N6O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5381 (Unknown Molecule) Molecule

  InChIKey	XPWQHJKTFYLKTL-UKTHLTGXSA-N
  Molecular Formula	C11H14ClN

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

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