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1-tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaen-15-ylethyl 4-methylbenzenesulfonate
SpectraBase Compound ID KSLl0uVkNYN
InChI InChI=1S/C25H24O3S/c1-16-11-13-18(14-12-16)29(26,27)28-17(2)23-15-24-19-7-3-5-9-21(19)25(23)22-10-6-4-8-20(22)24/h3-14,17,23-25H,15H2,1-2H3/t17?,23-,24-,25+/m0/s1
InChIKey HJKLTKULWOIMJP-YWRNHDPUSA-N
Mol Weight 404.52 g/mol
Molecular Formula C25H24O3S
Exact Mass 404.144616 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAxkIZsWZxK
Name 1-tetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaen-15-ylethyl 4-methylbenzenesulfonate
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/C25H24O3S/c1-16-11-13-18(14-12-16)29(26,27)28-17(2)23-15-24-19-7-3-5-9-21(19)25(23)22-10-6-4-8-20(22)24/h3-14,17,23-25H,15H2,1-2H3/t17?,23-,24-,25+/m0/s1
InChIKey HJKLTKULWOIMJP-YWRNHDPUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17794
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: 987/00006167; Labnumber: 987/00006167218875; VK_ID: VK-017801
Temperature 308 °C