SpectraBase Compound ID | BtICiASFDMw |
---|---|
InChI | InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3 |
InChIKey | QWWVSLBMMUDNTB-UHFFFAOYSA-N |
Mol Weight | 194.23 g/mol |
Molecular Formula | C11H14O3 |
Exact Mass | 194.094294 g/mol |
SpectraBase Spectrum ID | 99TswL5vflI |
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Name | 2-(p-Anisyloxymethyl)oxirane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.094294308 u |
Formula | C11H14O3 |
InChI | InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3 |
InChIKey | QWWVSLBMMUDNTB-UHFFFAOYSA-N |
Molecular Weight | 194.230 g/mol |
SMILES | C=1(OC)C=CC(=CC1)COCC1OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964219 |