| SpectraBase Spectrum ID |
FMv8X1oK90B |
| Name |
(3R,4R)-3-(Methoxymethoxy)-4-methyl-9-phenylmethoxy-5-nonyn-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-16(19(17(2)20)23-15-21-3)10-6-5-9-13-22-14-18-11-7-4-8-12-18/h4,7-8,11-12,16,19H,5,9,13-15H2,1-3H3/t16-,19-/m1/s1 |
| InChIKey |
KCKQWSQTOQGSBW-VQIMIIECSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C(#CCCCOCC=1C=CC=CC1)[C@]([C@](C(=O)C)(OCOC)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920771 |
