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

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N(1)-[1-decylundecyl]-3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
SpectraBase Compound ID 7mJ342l4u95
InChI InChI=1S/C45H51NO5/c1-3-5-7-9-11-13-15-17-19-29(20-18-16-14-12-10-8-6-4-2)46-42(47)34-25-21-30-32-23-27-36-41-37(45(50)51-44(36)49)28-24-33(39(32)41)31-22-26-35(43(46)48)40(34)38(30)31/h21-29H,3-20H2,1-2H3
InChIKey YSFVGHFJJVAVPZ-UHFFFAOYSA-N
Mol Weight 685.9 g/mol
Molecular Formula C45H51NO5
Exact Mass 685.376724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LI7UvRntXgn
Name N(1)-[1-decylundecyl]-3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
Alternate Name(s) 9-(1-decylundecyl)-1H-[2]benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
CAS Registry Number 130296-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H51NO5
InChI InChI=1S/C45H51NO5/c1-3-5-7-9-11-13-15-17-19-29(20-18-16-14-12-10-8-6-4-2)46-42(47)34-25-21-30-32-23-27-36-41-37(45(50)51-44(36)49)28-24-33(39(32)41)31-22-26-35(43(46)48)40(34)38(30)31/h21-29H,3-20H2,1-2H3
InChIKey YSFVGHFJJVAVPZ-UHFFFAOYSA-N
Molecular Weight 685.905 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(OC(c6ccc(c7ccc1c2c37)c4c56)=O)=O)=O)C(CCCCCCCCCC)CCCCCCCCCC)=O
SPLASH splash10-000f-0009006000-3e41a7d345eecfb6d4d7
Source of Spectrum K-124-532-2
Wiley ID 1414517