infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/VXSJUXHHISIOCI-UHFFFAOYSA-N/CHMO0000630
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
| InChI | InChI=1S/C108H84N10/c1-61-62(2)98(66-54-88-104(110-60-66)114-102-74-52-48-70(118-95-43-27-19-35-85(95)108(11,12)86-36-20-28-44-96(86)118)58-78(74)76-56-68(46-50-72(76)100(102)112-88)116-91-39-23-15-31-81(91)106(7,8)82-32-16-24-40-92(82)116)64(4)63(3)97(61)65-53-87-103(109-59-65)113-101-73-51-47-69(117-93-41-25-17-33-83(93)107(9,10)84-34-18-26-42-94(84)117)57-77(73)75-55-67(45-49-71(75)99(101)111-87)115-89-37-21-13-29-79(89)105(5,6)80-30-14-22-38-90(80)115/h13-60H,1-12H3 |
|---|---|
| SMILES | Cc1c(C)c(c2cnc3c(c2)nc2c(n3)c3ccc(cc3c3c2ccc(c3)N2c3ccccc3C(c3c2cccc3)(C)C)N2c3ccccc3C(c3c2cccc3)(C)C)c(c(c1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)C |
| InChI Key | VXSJUXHHISIOCI-UHFFFAOYSA-N |
| Molecular Formula | C108H84N10 |
| Exact Mass | 1521.890 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 29, 2025 |
| Metadata last updated | January 29, 2025 |
| Created | January 29, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 5d6e94a5-6dc6-40ce-a50f-098ceb5c2d93 |
| Package id | 10-14272-vxsjuxhhisioci-uhfffaoysa-n-chmo0000630 |
| Resource type | HTML |
| State | active |