| SpectraBase Spectrum ID |
31IezhzVpwc |
| Name |
Benzoic acid, 3-formyl-6-hydroxy-4-methoxy-2-pentyl-, ethyl ester |
| CAS Registry Number |
124281-26-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-4-6-7-8-11-12(10-17)14(20-3)9-13(18)15(11)16(19)21-5-2/h9-10,18H,4-8H2,1-3H3 |
| InChIKey |
CXHFEZWNYSLBNY-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
Oc1c(c(c(C=O)c(c1)OC)CCCCC)C(=O)OCC |
| SPLASH |
splash10-0a4i-0090000000-92b6bfc079d1138bc243 |
| Source of Spectrum |
B-42-991-9 |
| Synonyms |
Ethyl 3-formyl-6-hydroxy-4-methoxy-2-pentylbenzoate |
| Wiley ID |
1297128 |
