Debug Info

object
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IpZWIDToJLh
spectrumID
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IpZWIDToJLh
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Mass Spectrum (GC)
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Heptacyclo[12.12.8.2(6,9).2(19,22).2(29,32).1(3,25).1(12,16)]dotetraconta-1,3(37),4,6,8,10,12,14,16(40),17,19,21,23,25,27,29,31,33,35,38,41-heneicosaene
SpectraBase Compound ID E4qRlh3BIyf
InChI InChI=1S/C42H30/c1-2-32-4-3-31(1)13-19-37-25-39-21-15-33-5-9-35(10-6-33)17-23-41-27-38(20-14-32)28-42(30-41)24-18-36-11-7-34(8-12-36)16-22-40(26-37)29-39/h1-30H/b19-13-,20-14-,21-15-,22-16-,23-17-,24-18-
InChIKey WJSSFMXWTNPREG-HMNZPUCOSA-N
Mol Weight 534.7 g/mol
Molecular Formula C42H30
Exact Mass 534.234751 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpZWIDToJLh
Name Heptacyclo[12.12.8.2(6,9).2(19,22).2(29,32).1(3,25).1(12,16)]dotetraconta-1,3(37),4,6,8,10,12,14,16(40),17,19,21,23,25,27,29,31,33,35,38,41-heneicosaene
CAS Registry Number 63838-44-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H30
InChI InChI=1S/C42H30/c1-2-32-4-3-31(1)13-19-37-25-39-21-15-33-5-9-35(10-6-33)17-23-41-27-38(20-14-32)28-42(30-41)24-18-36-11-7-34(8-12-36)16-22-40(26-37)29-39/h1-30H/b19-13-,20-14-,21-15-,22-16-,23-17-,24-18-
InChIKey WJSSFMXWTNPREG-HMNZPUCOSA-N
Molecular Weight 534.702 g/mol
SMILES c12\C=C/c3cc4\C=C/c5ccc(\C=C/c6cc(\C=C/c(cc2)cc1)cc(\C=C/c1ccc(\C=C/c(c3)c4)cc1)c6)cc5
SPLASH splash10-001r-0000090000-473cadc60154e2e51f3f
Source of Spectrum SB-36-666-0
Synonyms Heptacyclo[12.12.8.2(6,9).2(19,22).2(29,32).1(3,25).1(12,16)]dotetraconta-1,3(41),4,6,8,10,12(42),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene [2(6)](1,3,5)(2)(1,4)(3)bicyclophanehexaene [2(6)]-(1,3,4)(2)-(1,4)(3)bicyclophanehexaene
Wiley ID 1403919
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