| SpectraBase Spectrum ID |
B1IldPAIKxs |
| Name |
1,7-Bis(3,5-bis(methoxycarbonyl)phenyl)-1,6-heptadiyne |
| Alternate Name(s) |
dimethyl 5-{7-[3,5-bis(methoxycarbonyl)phenyl]-1,6-heptadiynyl}isophthalate
5-[7-[3,5-bis(methoxycarbonyl)phenyl]hepta-1,6-diynyl]benzene-1,3-dicarboxylic acid dimethyl ester
dimethyl 5-[7-[3,5-bis(methoxycarbonyl)phenyl]hepta-1,6-diynyl]benzene-1,3-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H24O8 |
| InChI |
InChI=1S/C27H24O8/c1-32-24(28)20-12-18(13-21(16-20)25(29)33-2)10-8-6-5-7-9-11-19-14-22(26(30)34-3)17-23(15-19)27(31)35-4/h12-17H,5-7H2,1-4H3 |
| InChIKey |
LDBXYWPVZUTOMC-UHFFFAOYSA-N |
| Molecular Weight |
476.481 g/mol |
| SMILES |
C(#CCCCC#Cc1cc(cc(c1)C(=O)OC)C(=O)OC)c1cc(cc(c1)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-03fr-0000900000-211238fe3ee660acf236 |
| Source of Spectrum |
J-65-5367-15 |
| Wiley ID |
1532984 |
