| SpectraBase Spectrum ID |
LerTZxPrPSY |
| Name |
Methyl 6-(1-benzyloxymethyl)vinyl-3-[4-(4-chlorobenzenesulfonylamino)butyl]azulene-1-carboxylate |
| Alternate Name(s) |
methyl 6-(3-(benzyloxy)prop-1-en-2-yl)-3-(4-(4-chlorophenylsulfonamido)butyl)azulene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H32ClNO5S |
| InChI |
InChI=1S/C32H32ClNO5S/c1-23(21-39-22-24-8-4-3-5-9-24)25-11-17-29-26(20-31(32(35)38-2)30(29)18-12-25)10-6-7-19-34-40(36,37)28-15-13-27(33)14-16-28/h3-5,8-9,11-18,20,34H,1,6-7,10,19,21-22H2,2H3 |
| InChIKey |
SSILUTMPNWGMFF-UHFFFAOYSA-N |
| Molecular Weight |
578.123 g/mol |
| SMILES |
N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2c(c(c1)C(=O)OC)ccc(C(=C)COCc1ccccc1)cc2 |
| SPLASH |
splash10-0a4i-0900000000-3b3b751b5b26d5ba4273 |
| Source of Spectrum |
G2-4-588-24 |
| Wiley ID |
1661612 |
![Methyl 6-(1-benzyloxymethyl)vinyl-3-[4-(4-chlorobenzenesulfonylamino)butyl]azulene-1-carboxylate](/api/spectrum/LerTZxPrPSY/structure.png?h=300&w=458 "Methyl 6-(1-benzyloxymethyl)vinyl-3-[4-(4-chlorobenzenesulfonylamino)butyl]azulene-1-carboxylate")
