SpectraBase Compound ID | 77kB6IiphFe |
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InChI | InChI=1S/C80H128O16/c1-5-9-13-17-21-25-29-33-61-65-53-67(75(91-47-39-83)57-73(65)89-45-37-81)62(34-30-26-22-18-14-10-6-2)69-55-71(79(95-51-43-87)59-77(69)93-49-41-85)64(36-32-28-24-20-16-12-8-4)72-56-70(78(94-50-42-86)60-80(72)96-52-44-88)63(35-31-27-23-19-15-11-7-3)68-54-66(61)74(90-46-38-82)58-76(68)92-48-40-84/h53-64,81-88H,5-52H2,1-4H3 |
InChIKey | CMQUZEZXLUWLTR-UHFFFAOYSA-N |
Mol Weight | 1345.9 g/mol |
Molecular Formula | C80H128O16 |
Exact Mass | 1344.920238 g/mol |
SpectraBase Spectrum ID | vVJwTLuo3l |
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Name | ethanol, 2-[[6,10,12,16,18,22,24-heptakis(2-hydroxyethoxy)-2,8,14,20-tetranonylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4-yl]oxy]- |
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/C80H128O16/c1-5-9-13-17-21-25-29-33-61-65-53-67(75(91-47-39-83)57-73(65)89-45-37-81)62(34-30-26-22-18-14-10-6-2)69-55-71(79(95-51-43-87)59-77(69)93-49-41-85)64(36-32-28-24-20-16-12-8-4)72-56-70(78(94-50-42-86)60-80(72)96-52-44-88)63(35-31-27-23-19-15-11-7-3)68-54-66(61)74(90-46-38-82)58-76(68)92-48-40-84/h53-64,81-88H,5-52H2,1-4H3 |
InChIKey | CMQUZEZXLUWLTR-UHFFFAOYSA-N |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Origin | 1H_ASIOH_7529_7400 |
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: NMR/18307614; Labnumber: MIRO-000007d |