SpectraBase Compound ID | 8x7SZMI4Bgu |
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InChI | InChI=1S/C24H29N3O6/c1-3-32-23(30)26-12-9-15(10-13-26)27-14-24-11-8-18(33-24)19(20(24)22(27)29)21(28)25-16-6-4-5-7-17(16)31-2/h4-8,11,15,18-20H,3,9-10,12-14H2,1-2H3,(H,25,28) |
InChIKey | XASBYJWMQVELDX-UHFFFAOYSA-N |
Mol Weight | 455.51 g/mol |
Molecular Formula | C24H29N3O6 |
Exact Mass | 455.205636 g/mol |
SpectraBase Spectrum ID | A6zXYUhlCKb |
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Name | ethyl 4-{6-[(2-methoxyphenyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,⁵]dec-8-en-3-yl}piperidine-1-carboxylate |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 455.205635660 u |
Formula | C24H29N3O6 |
InChI | InChI=1S/C24H29N3O6/c1-3-32-23(30)26-12-9-15(10-13-26)27-14-24-11-8-18(33-24)19(20(24)22(27)29)21(28)25-16-6-4-5-7-17(16)31-2/h4-8,11,15,18-20H,3,9-10,12-14H2,1-2H3,(H,25,28) |
InChIKey | XASBYJWMQVELDX-UHFFFAOYSA-N |
Molecular Weight | 455.511 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_5578 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12668370 |