SpectraBase Compound ID | ACr9KDs4qNw |
---|---|
InChI | 1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1 |
InChIKey | NDVASEGYNIMXJL-NXEZZACHSA-N |
Mol Weight | 136.24 g/mol |
Molecular Formula | C10H16 |
Exact Mass | 136.125201 g/mol |
SpectraBase Spectrum ID | D778dDvsJ7u |
---|---|
Name | D-Sabinen |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 136.125200515 u |
Formula | C10H16 |
InChI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1 |
InChIKey | NDVASEGYNIMXJL-NXEZZACHSA-N |
Molecular Weight | 136.238 g/mol |
SMILES | CC([C@]12[C@@](C(=C)CC2)(C1)[H])C |
Spectrum/Structure Validation Score (Raman) | 0.976157 |