![N-[S-(Benzyloxycarbonyl)-3-mercaptopropionyl]-aza-18-crown-6 - (ether)](/api/spectrum/AswgIy63Dba/structure.png?h=300&w=458 "N-[S-(Benzyloxycarbonyl)-3-mercaptopropionyl]-aza-18-crown-6 - (ether)")
| SpectraBase Compound ID | DQ75GhLp7a1 |
|---|---|
| InChI | InChI=1S/C23H35NO8S/c25-22(6-19-33-23(26)32-20-21-4-2-1-3-5-21)24-7-9-27-11-13-29-15-17-31-18-16-30-14-12-28-10-8-24/h1-5H,6-20H2 |
| InChIKey | WSDZPSYPVCGWKN-UHFFFAOYSA-N |
| Mol Weight | 485.6 g/mol |
| Molecular Formula | C23H35NO8S |
| Exact Mass | 485.208338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AswgIy63Dba |
|---|---|
| Name | N-[S-(Benzyloxycarbonyl)-3-mercaptopropionyl]-aza-18-crown-6 - (ether) |
| Alternate Name(s) | 1-[S-(Benzyloxycarbonyl)-3'-mercaptopropionyl]-4,7,10,13,16-pentaoxa-1-azacyclohexadecane [[3-oxo-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propyl]thio]formic acid (phenylmethyl) ester benzyl [3-oxo-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propyl]sulfanylformate (phenylmethyl) [3-oxidanylidene-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propyl]sulfanylmethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H35NO8S |
| InChI | InChI=1S/C23H35NO8S/c25-22(6-19-33-23(26)32-20-21-4-2-1-3-5-21)24-7-9-27-11-13-29-15-17-31-18-16-30-14-12-28-10-8-24/h1-5H,6-20H2 |
| InChIKey | WSDZPSYPVCGWKN-UHFFFAOYSA-N |
| Molecular Weight | 485.592 g/mol |
| SMILES | C(N1CCOCCOCCOCCOCCOCC1)(CCSC(=O)OCc1ccccc1)=O |
| SPLASH | splash10-000i-0000900000-3a4f6a72c56445a7a109 |
| Source of Spectrum | OP-31-427-1 |
| Wiley ID | 850930 |