![1-Decyl-2-phenylthio-6-methylheptyl(N-[1-(1-naphthyl)-ethyl]carbamate (isomer A)](/api/spectrum/B4dlfZYDX9s/structure.png?h=300&w=458 "1-Decyl-2-phenylthio-6-methylheptyl(N-[1-(1-naphthyl)-ethyl]carbamate (isomer A)")
| SpectraBase Compound ID | 4qbLFmNK8lq |
|---|---|
| InChI | InChI=1S/C38H55NO2S/c1-5-6-7-8-9-10-11-15-28-36(37(29-19-16-21-30(2)3)42-33-24-13-12-14-25-33)41-38(40)39-31(4)34-27-20-23-32-22-17-18-26-35(32)34/h12-14,17-18,20,22-27,30-31,36-37H,5-11,15-16,19,21,28-29H2,1-4H3,(H,39,40) |
| InChIKey | BVIUWMSRJAWMAA-UHFFFAOYSA-N |
| Mol Weight | 589.9 g/mol |
| Molecular Formula | C38H55NO2S |
| Exact Mass | 589.395351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B4dlfZYDX9s |
|---|---|
| Name | 1-Decyl-2-phenylthio-6-methylheptyl(N-[1-(1-naphthyl)-ethyl]carbamate (isomer A) |
| Alternate Name(s) | 1-Decyl-2-phenylthio-6-methylheptyl(N-[1-(1-naphthyl)-ethyl]carbamate) (isomer B) 1-[6-methyl-1-(phenylsulfanyl)heptyl]undecyl 1-(1-naphthyl)ethylcarbamate |
| CAS Registry Number | 68900-46-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H55NO2S |
| InChI | InChI=1S/C38H55NO2S/c1-5-6-7-8-9-10-11-15-28-36(37(29-19-16-21-30(2)3)42-33-24-13-12-14-25-33)41-38(40)39-31(4)34-27-20-23-32-22-17-18-26-35(32)34/h12-14,17-18,20,22-27,30-31,36-37H,5-11,15-16,19,21,28-29H2,1-4H3,(H,39,40) |
| InChIKey | BVIUWMSRJAWMAA-UHFFFAOYSA-N |
| Molecular Weight | 589.923 g/mol |
| SMILES | N(C(OC(C(Sc1ccccc1)CCCCC(C)C)CCCCCCCCCC)=O)C(c1c2c(cccc2)ccc1)C |
| SPLASH | splash10-0pvi-3490000000-3a314beef32657bb32a3 |
| Source of Spectrum | J-44-1027-0 |
| Wiley ID | 1409269 |