![N-Phenyl-S-[1'-(T-butyl)allyl]-3-(2''-isopropyl-5""""-methylcyclohexyl)-.alpha.-thiocarbamate](/api/spectrum/6bp5RRJU7or/structure.png?h=300&w=458 "N-Phenyl-S-[1'-(T-butyl)allyl]-3-(2''-isopropyl-5\"\"\"\"-methylcyclohexyl)-.alpha.-thiocarbamate")
| SpectraBase Compound ID | B46WtJsiCWo |
|---|---|
| InChI | InChI=1S/C24H37NOS/c1-17(2)21-14-12-18(3)16-19(21)13-15-22(24(4,5)6)27-23(26)25-20-10-8-7-9-11-20/h7-11,13,15,17-19,21-22H,12,14,16H2,1-6H3,(H,25,26)/b15-13+/t18-,19-,21+,22?/m1/s1 |
| InChIKey | GBORTHIFPLIGTA-MKPJPAMCSA-N |
| Mol Weight | 387.6 g/mol |
| Molecular Formula | C24H37NOS |
| Exact Mass | 387.259586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bp5RRJU7or |
|---|---|
| Name | N-Phenyl-S-[1'-(T-butyl)allyl]-3-(2''-isopropyl-5""""-methylcyclohexyl)-.alpha.-thiocarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.259585988 u |
| Formula | C24H37NOS |
| InChI | InChI=1S/C24H37NOS/c1-17(2)21-14-12-18(3)16-19(21)13-15-22(24(4,5)6)27-23(26)25-20-10-8-7-9-11-20/h7-11,13,15,17-19,21-22H,12,14,16H2,1-6H3,(H,25,26)/b15-13+/t18-,19-,21+,22?/m1/s1 |
| InChIKey | GBORTHIFPLIGTA-MKPJPAMCSA-N |
| Molecular Weight | 387.626 g/mol |
| SMILES | C(SC(\C=C\[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])C(C)(C)C)(NC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834797 |