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(+-)-2,3,6,7,12,12-hexamethyl-3.beta.,4,4A.alpha.,5,8,8A.beta.,9.beta.,9A.alpha.,10.beta.,10A.beta.-decahydro-10,3-(epoxymethano)-anthracen-9-ol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(+-)-2,3,6,7,12,12-hexamethyl-3.beta.,4,4A.alpha.,5,8,8A.beta.,9.beta.,9A.alpha.,10.beta.,10A.beta.-decahydro-10,3-(epoxymethano)-anthracen-9-ol
SpectraBase Compound ID 6UI51udpHJL
InChI InChI=1S/C21H32O2/c1-11-7-14-15(8-12(11)2)19(22)16-9-13(3)21(6)10-17(16)18(14)20(4,5)23-21/h9,14-19,22H,7-8,10H2,1-6H3/t14-,15+,16+,17-,18+,19-,21-/m1/s1
InChIKey SMTVILVWDFMRPC-UPMRRPSVSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dh1LavHzsfq
Name (+-)-2,3,6,7,12,12-hexamethyl-3.beta.,4,4A.alpha.,5,8,8A.beta.,9.beta.,9A.alpha.,10.beta.,10A.beta.-decahydro-10,3-(epoxymethano)-anthracen-9-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-11-7-14-15(8-12(11)2)19(22)16-9-13(3)21(6)10-17(16)18(14)20(4,5)23-21/h9,14-19,22H,7-8,10H2,1-6H3/t14-,15+,16+,17-,18+,19-,21-/m1/s1
InChIKey SMTVILVWDFMRPC-UPMRRPSVSA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]12([C@@]3([C@@](C(C)(C)O[C@](C(=C2)C)(C)C3)([C@]2([C@@]([C@]1(O)[H])(CC(=C(C)C2)C)[H])[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977615