Obscurolide A2

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Systematic / IUPAC Name: 4-({2-[(1E)-3-Hydroxy-1-buten-1-yl]-5-oxotetrahydro-3-furanyl}amino)benzaldehyde

ID: Reference7929

Other Names: 5-(3-Hydroxy-1-butenyl)-4-[(4-formylphenyl)amino]tetrahydro-2-furanone;
Benzaldehyde, 4-{[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino}-

Formula: C15H17NO4

Spectral Data

Obscurolide A2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/11/2018 12:35:47 PM
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Identificators

InChI InChI=1S/C15H17NO4/c1-10(18)2-7-14-13(8-15(19)20-14)16-12-5-3-11(9-17)4-6-12/h2-7,9-10,13-14,16,18H,8H2,1H3/b7-2+
InChI Key RYJWSNUDETVRFF-FARCUNLSSA-N
Canonical SMILES CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O
CAS
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Other Names 5-(3-Hydroxy-1-butenyl)-4-[(4-formylphenyl)amino]tetrahydro-2-furanone;
Benzaldehyde, 4-{[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino}-

In Other Databases

ChemIDPlus 144398005
ChEMBL CHEMBL1524556
ChemSpider 4578602
PubChem 5467708