| SpectraBase Spectrum ID |
8JhVHElt997 |
| Name |
(4S,8R)-p-Menth-1,5-dien-9-ol 3,5-dinitrobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.116486302 u |
| Formula |
C17H18N2O6 |
| InChI |
InChI=1S/C17H18N2O6/c1-11-3-5-13(6-4-11)12(2)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-5,7-9,12-13H,6,10H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey |
XNMCGOBVNYAKLO-QWHCGFSZSA-N |
| Molecular Weight |
346.339 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC(=C1)C(OC[C@@]([C@@]1(C=CC(=CC1)C)[H])(C)[H])=O |
