For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[2-(4-Methoxyphenyl)-4-oxo-3-trimethylsilanyloxy-3,4-dihydro-2H-benzo[B][1,4]thiazepin-5-yl]acetic acid, methyl ester

View entire compound with spectra: 1 NMR

[2-(4-Methoxyphenyl)-4-oxo-3-trimethylsilanyloxy-3,4-dihydro-2H-benzo[B][1,4]thiazepin-5-yl]acetic acid, methyl ester
SpectraBase Compound ID C1txYBCOkbj
InChI InChI=1S/C22H27NO5SSi/c1-26-16-12-10-15(11-13-16)21-20(28-30(3,4)5)22(25)23(14-19(24)27-2)17-8-6-7-9-18(17)29-21/h6-13,20-21H,14H2,1-5H3
InChIKey SPPZHSGMAIDPMC-UHFFFAOYSA-N
Mol Weight 445.61 g/mol
Molecular Formula C22H27NO5SSi
Exact Mass 445.137921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 39WefhYW8nx
Name [2-(4-Methoxyphenyl)-4-oxo-3-trimethylsilanyloxy-3,4-dihydro-2H-benzo[B][1,4]thiazepin-5-yl]acetic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.137920677 u
Formula C22H27NO5SSi
InChI InChI=1S/C22H27NO5SSi/c1-26-16-12-10-15(11-13-16)21-20(28-30(3,4)5)22(25)23(14-19(24)27-2)17-8-6-7-9-18(17)29-21/h6-13,20-21H,14H2,1-5H3
InChIKey SPPZHSGMAIDPMC-UHFFFAOYSA-N
Molecular Weight 445.605 g/mol
SMILES C1=CC=C2C(=C1)SC(C1=CC=C(C=C1)OC)C(C(N2CC(OC)=O)=O)O[Si](C)(C)C