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23,335 molecules found

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• nfdi4chem-mol1255 (Unknown Molecule) Molecule

  InChIKey	OKNQDOGZSNQGRW-CZJZRIMBSA-N

  

  
  

  Related Dataset(s)

  • 10_17OH_3OH_delta5_pyridine_THXI-007C_17_OH_12_pyridine_DHEA_09132024_FULL[7]
  • 10_17OH_3OH_delta5_pyridine_THXI-007C_17_OH_12_pyridine_DHEA_09132024_FULL[8]

• nfdi4chem-mol1257 (Unknown Molecule) Molecule

  InChIKey	DWXCSXVJDPVMPS-UHFFFAOYSA-N
  Molecular Formula	C18H15ClO

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

• nfdi4chem-mol12887(Unknown Molecule) Molecule

  InChIKey	SOTLWPHEAQOHHC-SILNSSARSA-N
  Molecular Formula	C20H27NO3

  

  
  

  Related Dataset(s)

  • Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:20 V; [M+H]+
  • Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:10 V; [M+H]+
  • Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:30 V; [M+H]+
  • Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:40 V; [M+H]+

• nfdi4chem-mol1300 (Unknown Molecule) Molecule

  InChIKey	PBVMEALNHZWVDS-UHFFFAOYSA-N
  Molecular Formula	C6H18Cl2N2Pd

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol1306 (Unknown Molecule) Molecule

  InChIKey	VSINEHXZRHLTAB-IYAXKJGPSA-N

  

  
  

  Related Dataset(s)

  • AEIV-064A_C17_OH_AD_TBDMSTriflate_10.04.2024_FULL[9]

• nfdi4chem-mol1322 (Unknown Molecule) Molecule

  InChIKey	MVTMDTPYFXHKTK-UHFFFAOYSA-N
  Molecular Formula	C56H46N6O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1327 (Unknown Molecule) Molecule

  InChIKey	ONELYHQKSQYDSH-QOFCDOINSA-N

  

  
  

  Related Dataset(s)

  • CB4.1d
  • CB4.hsqc
  • CB4.c13
  • CB4.hmbc
  • CB4.cosy

• nfdi4chem-mol1354 (Unknown Molecule) Molecule

  InChIKey	JODUWSZJDOLQRB-FMQUCBEESA-N
  Molecular Formula	C18H14N2O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1357 (Unknown Molecule) Molecule

  InChIKey	LCYWCZWKUOWKCQ-OQLLNIDSSA-N
  Molecular Formula	C13H10N2O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1363 (Unknown Molecule) Molecule

  InChIKey	GJCGJBZILFUNOT-QXWNKERDSA-N
  Molecular Formula	C48H36CuF3N2OP2

  

  
  

  Related Dataset(s)

  • fast-atom bombardment mass spectrometry (FABMS)
  • elemental analysis (EA)
  • Fourier transform infrared spectroscopy (FTIR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)

• nfdi4chem-mol1385 (Unknown Molecule) Molecule

  InChIKey	REPFNYFEIOZRLM-LWQDQPMZSA-N
  Molecular Formula	C44H34N8

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol1389 (Unknown Molecule) Molecule

  InChIKey	FJGPNDURHCLNNX-IIFGQYIMSA-N
  Molecular Formula	C53H38N6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol13893(Unknown Molecule) Molecule

  InChIKey	CUJAZGOWDHBZEI-LNYMIDHXSA-N
  Molecular Formula	C19H24N2O2S

  

  
  

  Related Dataset(s)

  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 15 V
  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 90 V
  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 75 V
  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 60 V
  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 30 V
  • Levomepromazine (oxide); LC-ESI-Q; MS; POS; 45 V

• nfdi4chem-mol1394 (Unknown Molecule) Molecule

  InChIKey	PXDBOSMGQHNFQY-WUKNDPDISA-N
  Molecular Formula	C15H18N2O3S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol14183(Unknown Molecule) Molecule

  InChIKey	QTBZDDLLDFZGQX-KVUJAYRISA-N
  Molecular Formula	C47H83O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.31; Exp: 1
  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.33; Exp: 2
  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.33; Exp: 1
  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.31; Exp: 3
  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.33; Exp: 3
  • Phosphatidylinositol 18:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 20.31; Exp: 2

• nfdi4chem-mol1422 (Unknown Molecule) Molecule

  InChIKey	KRBARPNASAVMNP-UBKKNSJISA-N

  

  
  

  Related Dataset(s)

  • Triplinone E[101]
  • Triplinone E[100]
  • Triplinone E[102]
  • Triplinone E[104]
  • Triplinone E[103]

• nfdi4chem-mol1442 (Unknown Molecule) Molecule

  InChIKey	GBVQUHULADMNBR-UZWIWUQPSA-N

  

  
  

  Related Dataset(s)

  • 20170308_JVN-240866-A.MP300[PROTON_01.fid]
  • 20170412_JVN-240866_CRYST.MP300[PROTON_01.fid]

• nfdi4chem-mol14579(Unknown Molecule) Molecule

  InChIKey	WIGIZIANZCJQQY-RUCARUNLSA-N
  Molecular Formula	C24H34N4O5S

  

  
  

  Related Dataset(s)

  • Glimepiride; LC-ESI-Q; MS; POS; 30 V
  • Glimepiride; LC-ESI-Q; MS; NEG; 30 V
  • Glimepiride; LC-ESI-Q; MS; POS; 45 V
  • Glimepiride; LC-ESI-Q; MS; POS; 15 V
  • Glimepiride; LC-ESI-Q; MS; POS; 60 V
  • Glimepiride; LC-ESI-Q; MS; POS; 75 V, 90 V

• nfdi4chem-mol14606(Unknown Molecule) Molecule

  InChIKey	DBYJOJHQJZEVBO-MDZDMXLPSA-N
  Molecular Formula	C8H20N4

  

  
  

  Related Dataset(s)

  • 1-ETHYL-3-ISOPROPYL-5,5-DIMETHYL-3,4-DIHYDROFORMAZAN; EI-B; MS

• nfdi4chem-mol1461 (Unknown Molecule) Molecule

  InChIKey	VQQOCYBKBUZIEI-UHFFFAOYSA-N
  Molecular Formula	C14H17NO5S

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

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