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Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(S*),5'.alpha.]-(.+-.)-

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

Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(S*),5'.alpha.]-(.+-.)-
SpectraBase Compound ID 9QrVm9yAyew
InChI InChI=1S/C25H38O5/c1-14(2)11-20-15-7-8-19(15)24(3,4)25(20)10-9-16-21(28-5)17(12-26)22(29-6)18(13-27)23(16)30-25/h14-15,19-20,26-27H,7-13H2,1-6H3/t15-,19+,20?,25+/m1/s1
InChIKey CEPKLFVZOZCFPX-OXAYVORTSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCWcFhFGUMf
Name Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(S*),5'.alpha.]-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(2)11-20-15-7-8-19(15)24(3,4)25(20)10-9-16-21(28-5)17(12-26)22(29-6)18(13-27)23(16)30-25/h14-15,19-20,26-27H,7-13H2,1-6H3/t15-,19+,20?,25+/m1/s1
InChIKey CEPKLFVZOZCFPX-OXAYVORTSA-N
Molecular Weight 418.574 g/mol
SMILES [C@]12(OC=3C(=C(OC)C(=C(C3CC2)OC)CO)CO)C([C@]2(CC[C@]2(C1CC(C)C)[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885783