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1,7,13-Tri-t-butyldecacyclene

View entire compound with spectra: 1 MS (GC)

1,7,13-Tri-t-butyldecacyclene
SpectraBase Compound ID 6XOPsRHpy1f
InChI InChI=1S/C48H42/c1-46(2,3)34-22-19-31-37-25(34)13-10-16-28(37)40-43(31)41-29-17-11-14-26-36(48(7,8)9)24-21-33(38(26)29)45(41)42-30-18-12-15-27-35(47(4,5)6)23-20-32(39(27)30)44(40)42/h10-24H,1-9H3
InChIKey NVVAFCTTZYTVOQ-UHFFFAOYSA-N
Mol Weight 618.9 g/mol
Molecular Formula C48H42
Exact Mass 618.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlwYuICsMJ2
Name 1,7,13-Tri-t-butyldecacyclene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H42
InChI InChI=1S/C48H42/c1-46(2,3)34-22-19-31-37-25(34)13-10-16-28(37)40-43(31)41-29-17-11-14-26-36(48(7,8)9)24-21-33(38(26)29)45(41)42-30-18-12-15-27-35(47(4,5)6)23-20-32(39(27)30)44(40)42/h10-24H,1-9H3
InChIKey NVVAFCTTZYTVOQ-UHFFFAOYSA-N
Molecular Weight 618.864 g/mol
SMILES c-12c(c3-c4c5c(cccc5-c3c-3c2-c2c5c(c(C(C)(C)C)ccc35)ccc2)c(cc4)C(C)(C)C)-c2cccc3c2c1ccc3C(C)(C)C
SPLASH splash10-014i-0000109000-fdd1dce9dfe01cfd0c61
Source of Spectrum AT-37-8374-6
Wiley ID 853687