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Cyclopenta[a]cyclopropa[g]naphthalene-4,8-diol, tetradecahydro-3a,5a,7a-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,4.alpha.,5a.alpha.,6a.alpha.,7a.alpha.,8.beta.,8a.beta.,8b.alpha.)]-
SpectraBase Compound ID KotNGRB5QUz
InChI InChI=1S/C20H34O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1
InChIKey NHLBSFJAUMLOLZ-FPIFAVEHSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ErwLT295Wmp
Name Cyclopenta[A]cyclopropa[G]naphthalene-4,8-diol, tetradecahydro-3A,5A,7A-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3A.beta.,4.alpha.,5A.alpha.,6A.alpha.,7A.alpha.,8.beta.,8A.beta.,8B.alpha.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.255880333 u
Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1
InChIKey NHLBSFJAUMLOLZ-FPIFAVEHSA-N
SMILES [C@@]12([C@](C[C@]3([C@]([C@@]2(O)[H])([C@@]2([C@@]([C@](O)(C3)[H])(CC[C@]2(C(C)C)[H])C)[H])[H])C)([H])C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925198