SpectraBase Compound ID | DIz14aT6yEt |
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InChI | InChI=1S/C25H27NO3/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)20-6-8-21(9-7-20)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22H,10-15H2,(H,26,27)(H,28,29)/t16-,17+,18-,22?,25- |
InChIKey | HSSGOYZMNBIMHY-DFIFGRFQSA-N |
Mol Weight | 389.5 g/mol |
Molecular Formula | C25H27NO3 |
Exact Mass | 389.199094 g/mol |
SpectraBase Spectrum ID | Invv4aBKEFM |
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Name | benzeneacetic acid, alpha-[(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)amino]-, (alpha~1~R)- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 389.199093730 u |
Formula | C25H27NO3 |
InChI | InChI=1S/C25H27NO3/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)20-6-8-21(9-7-20)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22H,10-15H2,(H,26,27)(H,28,29)/t16-,17+,18-,22?,25- |
InChIKey | HSSGOYZMNBIMHY-DFIFGRFQSA-N |
Molecular Weight | 389.495 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_398 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13238771 |