| SpectraBase Spectrum ID |
JHifdJHAvu2 |
| Name |
1-Methyl-4-vinyl-3,4,5,6-tetrahydro-3,6-epothiobenzazocin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.087435280 u |
| Formula |
C14H15NOS |
| InChI |
InChI=1S/C14H15NOS/c1-3-9-8-12-10-6-4-5-7-11(10)15(2)14(16)13(9)17-12/h3-7,9,12-13H,1,8H2,2H3/t9-,12-,13-/m0/s1 |
| InChIKey |
MTRJVHRSUIUMBM-XDTLVQLUSA-N |
| Molecular Weight |
245.340 g/mol |
| SMILES |
C1(N(C=2C([C@]3(S[C@]1([C@](C3)(C=C)[H])[H])[H])=CC=CC2)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938813 |
