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25-Methyl-27-phenylthio-9,15-dioxa-3,21,25-triaza-tetracyclo(21.3.1.0/3,7/.0/17,21/)heptacosa-23,26-diene-2,8,16,22-tetr

View entire compound with spectra: 1 NMR

25-Methyl-27-phenylthio-9,15-dioxa-3,21,25-triaza-tetracyclo(21.3.1.0/3,7/.0/17,21/)heptacosa-23,26-diene-2,8,16,22-tetr
SpectraBase Compound ID KeIhsnk2h16
InChI InChI=1S/C29H35N3O6S/c1-30-18-21-25(39-20-10-4-2-5-11-20)22(19-30)27(34)32-15-9-13-24(32)29(36)38-17-7-3-6-16-37-28(35)23-12-8-14-31(23)26(21)33/h2,4-5,10-11,18-19,23-25H,3,6-9,12-17H2,1H3
InChIKey BHJYBJXUOVRCPY-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C29H35N3O6S
Exact Mass 553.224657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xT6nT16ZiL
Name 25-Methyl-27-phenylthio-9,15-dioxa-3,21,25-triaza-tetracyclo(21.3.1.0/3,7/.0/17,21/)heptacosa-23,26-diene-2,8,16,22-tetr
Comments (7S,17S)-ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H35N3O6S
InChI InChI=1S/C29H35N3O6S/c1-30-18-21-25(39-20-10-4-2-5-11-20)22(19-30)27(34)32-15-9-13-24(32)29(36)38-17-7-3-6-16-37-28(35)23-12-8-14-31(23)26(21)33/h2,4-5,10-11,18-19,23-25H,3,6-9,12-17H2,1H3
InChIKey BHJYBJXUOVRCPY-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference B.J. Van Keulen, R.M. Kellogg, J. Am. Chem. Soc. 106, 6029 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3