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N(1)-[1-heptyloctyl]-3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride

View entire compound with spectra: 1 MS (GC)

N(1)-[1-heptyloctyl]-3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
SpectraBase Compound ID 2AKPRFyn7pU
InChI InChI=1S/C39H39NO5/c1-3-5-7-9-11-13-23(14-12-10-8-6-4-2)40-36(41)28-19-15-24-26-17-21-30-35-31(39(44)45-38(30)43)22-18-27(33(26)35)25-16-20-29(37(40)42)34(28)32(24)25/h15-23H,3-14H2,1-2H3
InChIKey APMIWCCSWKQCOT-UHFFFAOYSA-N
Mol Weight 601.7 g/mol
Molecular Formula C39H39NO5
Exact Mass 601.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiElsExNa4Y
Name N(1)-[1-heptyloctyl]-3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
Alternate Name(s) 9-(1-heptyloctyl)-1H-[2]benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
CAS Registry Number 130296-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H39NO5
InChI InChI=1S/C39H39NO5/c1-3-5-7-9-11-13-23(14-12-10-8-6-4-2)40-36(41)28-19-15-24-26-17-21-30-35-31(39(44)45-38(30)43)22-18-27(33(26)35)25-16-20-29(37(40)42)34(28)32(24)25/h15-23H,3-14H2,1-2H3
InChIKey APMIWCCSWKQCOT-UHFFFAOYSA-N
Molecular Weight 601.743 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(OC(c6ccc(c7ccc1c2c37)c4c56)=O)=O)=O)C(CCCCCCC)CCCCCCC)=O
SPLASH splash10-0006-0009003000-cf8fb0f20ac2c29db3bf
Source of Spectrum K-124-532-2
Wiley ID 1410243