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pentyl (1S,5R,7R)-3-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
SpectraBase Compound ID AmQQXDbIFw4
InChI InChI=1S/C21H25NO4/c1-3-4-5-11-25-20(24)17-16-9-10-21(26-16)13-22(19(23)18(17)21)15-8-6-7-14(2)12-15/h6-10,12,16-18H,3-5,11,13H2,1-2H3
InChIKey PBDFVNJCTCFKNS-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FUaLZfGFUnp
Name pentyl (1S,5R,7R)-3-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H25NO4/c1-3-4-5-11-25-20(24)17-16-9-10-21(26-16)13-22(19(23)18(17)21)15-8-6-7-14(2)12-15/h6-10,12,16-18H,3-5,11,13H2,1-2H3
InChIKey PBDFVNJCTCFKNS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15894
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D08902; Labnumber: LGV-1686; SBI_ID: SBI-015897
Synonyms pentyl 3-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
Temperature 308 °C