| SpectraBase Spectrum ID |
8twLW7L6mi5 |
| Name |
Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2R-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1 |
| InChIKey |
XBAOYRZETQXAAE-IAGOWNOFSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
[C@]1(O[C@@]1(COCC=1C=CC=CC1)[H])(COC(C1=CC=C(N(=O)=O)C=C1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941858 |
![Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2R-cis)-](/api/spectrum/8twLW7L6mi5/structure.png?h=300&w=458 "Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2R-cis)-")
