![1,3,10,13,16,19,22,29,31,38,41,44,47,50,51-Tetradecaoxa(3,13,3,13 )[ 56 ] paracyclophane](/api/spectrum/9Ra6T2KYOgR/structure.png?h=300&w=458 "1,3,10,13,16,19,22,29,31,38,41,44,47,50,51-Tetradecaoxa(3,13,3,13 )[ 56 ] paracyclophane")
| SpectraBase Compound ID | 4vUWfvLPSgx |
|---|---|
| InChI | InChI=1S/C42H52O14/c1-9-39-10-2-35(1)49-29-25-45-21-17-43-18-22-46-27-31-51-37-5-13-41(14-6-37)55-34-56-42-15-7-38(8-16-42)52-32-28-48-24-20-44-19-23-47-26-30-50-36-3-11-40(12-4-36)54-33-53-39/h1-16H,17-34H2 |
| InChIKey | FMPKLCQLNKWQTI-UHFFFAOYSA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C42H52O14 |
| Exact Mass | 780.335706 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Ra6T2KYOgR |
|---|---|
| Name | 1,3,10,13,16,19,22,29,31,38,41,44,47,50,51-Tetradecaoxa(3,13,3,13 )[ 56 ] paracyclophane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H52O14 |
| InChI | InChI=1S/C42H52O14/c1-9-39-10-2-35(1)49-29-25-45-21-17-43-18-22-46-27-31-51-37-5-13-41(14-6-37)55-34-56-42-15-7-38(8-16-42)52-32-28-48-24-20-44-19-23-47-26-30-50-36-3-11-40(12-4-36)54-33-53-39/h1-16H,17-34H2 |
| InChIKey | FMPKLCQLNKWQTI-UHFFFAOYSA-N |
| Molecular Weight | 780.864 g/mol |
| SMILES | C1Oc2ccc(OCCOCCOCCOCCOc3ccc(OCOc4ccc(OCCOCCOCCOCCOc5ccc(O1)cc5)cc4)cc3)cc2 |
| SPLASH | splash10-0006-1709100400-658ac8b381d0469d029b |
| Source of Spectrum | K-126-1445-5 |
| Synonyms | 1,3,10,13,16,19,22,29,31,38,41,44,47,50,51-Tetradecaaoxa(3,13,3,13)[56]paracyclophane 2,4,9,12,15,18,21,26,28,33,36,39,42,45-tetradecaoxapentacyclo[44.2.2.2(5,8).2(22,25).2(29,32)]hexapentaconta-1(48),5,7,22,24,29,31,46,49,51,53,55-dodecaene |
| Wiley ID | 1416899 |