For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Naphthalene, decahydro-2-(4-iodophenyl)-6-pentyl-, (2.alpha.,4a.alpha.,6.beta.,8a.beta.)-
SpectraBase Compound ID F8djKDCvln7
InChI InChI=1S/C21H31I/c1-2-3-4-5-16-6-7-20-15-19(9-8-18(20)14-16)17-10-12-21(22)13-11-17/h10-13,16,18-20H,2-9,14-15H2,1H3/t16-,18-,19+,20+/m0/s1
InChIKey MIOFQGMXZWCNLO-IJXRJRJASA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H31I
Exact Mass 410.147046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1PtcvyQlIeC
Name Naphthalene, decahydro-2-(4-iodophenyl)-6-pentyl-, (2.alpha.,4a.alpha.,6.beta.,8a.beta.)-
CAS Registry Number 83839-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31I
InChI InChI=1S/C21H31I/c1-2-3-4-5-16-6-7-20-15-19(9-8-18(20)14-16)17-10-12-21(22)13-11-17/h10-13,16,18-20H,2-9,14-15H2,1H3/t16-,18-,19+,20+/m0/s1
InChIKey MIOFQGMXZWCNLO-IJXRJRJASA-N
Molecular Weight 410.383 g/mol
SMILES [C@@]12([C@](C[C@](CC2)(CCCCC)[H])(CC[C@](C1)(c1ccc(cc1)I)[H])[H])[H]
SPLASH splash10-03di-1140900000-5e14f44c28880da2286b
Source of Spectrum H-65-1254-0
Synonyms (2R,4aS,6S,8aR)-2-(4-iodophenyl)-6-pentyldecahydronaphthalene 2.beta.-pentyl-6.alpha.(p-iodophenyl)-(4a.beta.,8a.alpha.)-decahydro naphthalene (2R,4aS,6S,8aR)-2-(4-iodophenyl)-6-pentyl-decalin (2R,4aS,6S,8aR)-2-(4-iodophenyl)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Wiley ID 1373586