![6-[[6'-(methoxymethoxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]-N-prop-2-ynyl-hexanamide](/api/spectrum/6xNoFPnXYcS/structure.png?h=300&w=458 "6-[[6'-(methoxymethoxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]-N-prop-2-ynyl-hexanamide")
| SpectraBase Compound ID | DE7PtfwsmHK |
|---|---|
| InChI | InChI=1S/C31H30N2O6/c1-3-16-33-29(34)11-5-4-8-17-32-21-12-14-25-27(18-21)38-28-19-22(37-20-36-2)13-15-26(28)31(25)24-10-7-6-9-23(24)30(35)39-31/h1,6-7,9-10,12-15,18-19,32H,4-5,8,11,16-17,20H2,2H3,(H,33,34) |
| InChIKey | LPGURCCDBPLFAF-UHFFFAOYSA-N |
| Mol Weight | 526.59 g/mol |
| Molecular Formula | C31H30N2O6 |
| Exact Mass | 526.210387 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6xNoFPnXYcS |
|---|---|
| Name | 6-[[6'-(methoxymethoxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]amino]-N-prop-2-ynyl-hexanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H30N2O6 |
| InChI | InChI=1S/C31H30N2O6/c1-3-16-33-29(34)11-5-4-8-17-32-21-12-14-25-27(18-21)38-28-19-22(37-20-36-2)13-15-26(28)31(25)24-10-7-6-9-23(24)30(35)39-31/h1,6-7,9-10,12-15,18-19,32H,4-5,8,11,16-17,20H2,2H3,(H,33,34) |
| InChIKey | LPGURCCDBPLFAF-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 526.589 g/mol |
| Reported Formula | C31H30N2O6 |
| SMILES | N(c1ccc2C3(c4ccc(cc4Oc2c1)OCOC)c1c(C(O3)=O)cccc1)CCCCCC(NCC#C)=O |
| SPLASH | splash10-004i-0900000000-8537402fe4afd306dc53 |
| Source of Spectrum | CN101983194B |
| Wiley ID | 1849554 |