| SpectraBase Spectrum ID |
HFB6VDeWrgc |
| Name |
S-[2-[[6,8a-dihydropyren-1-ylmethyl-[[2-(dimethylcarbamoylsulfanyl)phenyl]methyl]amino]methyl]phenyl] N,N-dimethylcarbamothioate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H37N3O2S2 |
| InChI |
InChI=1S/C37H37N3O2S2/c1-38(2)36(41)43-32-14-7-5-10-29(32)23-40(24-30-11-6-8-15-33(30)44-37(42)39(3)4)22-28-19-18-27-17-16-25-12-9-13-26-20-21-31(28)35(27)34(25)26/h5-11,13-21,26H,12,22-24H2,1-4H3 |
| InChIKey |
UXCDHBZCXGYDKE-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejic.202100105 |
| Molecular Weight |
619.842 g/mol |
| SMILES |
c1(CN(Cc2c(cccc2)SC(N(C)C)=O)Cc2ccc3c4c2C=CC2c4c(cc3)CC=C2)ccccc1SC(N(C)C)=O |
| SPLASH |
splash10-014i-2190210000-9e080d711c5ebc249390 |
| Source of Spectrum |
U2-2021-SM5-L1a |
| Wiley ID |
1851869 |
![S-[2-[[6,8a-dihydropyren-1-ylmethyl-[[2-(dimethylcarbamoylsulfanyl)phenyl]methyl]amino]methyl]phenyl] N,N-dimethylcarbamothioate](/api/spectrum/HFB6VDeWrgc/structure.png?h=300&w=458 "S-[2-[[6,8a-dihydropyren-1-ylmethyl-[[2-(dimethylcarbamoylsulfanyl)phenyl]methyl]amino]methyl]phenyl] N,N-dimethylcarbamothioate")
