| SpectraBase Spectrum ID |
5iY8y9YmqAG |
| Name |
3-(Tert-butoxymethyl)-2H-benzo[E][1,4]dioxepin-5(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-14(2,3)17-9-10-8-16-12-7-5-4-6-11(12)13(15)18-10/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
NIUDLOQZUDBDOA-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C=1C=C2C(=CC1)OCC(OC2=O)COC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961408 |
![3-(tert-Butoxymethyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one](/api/spectrum/5iY8y9YmqAG/structure.png?h=300&w=458 "3-(tert-Butoxymethyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one")
