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

*Links on SpectraBase are not permalinks.

4aH-Dibenzo[a,d]cycloheptene-4a,5-diol, 1,2,3,4,5,10,11,11a-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-

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

4aH-Dibenzo[a,d]cycloheptene-4a,5-diol, 1,2,3,4,5,10,11,11a-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
SpectraBase Compound ID Kqwa2WKP4mA
InChI InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,23)19(22)16(14)12-17(15)24-5/h11-13,18-19,22-23H,6-10H2,1-5H3/t18-,19-,21+/m0/s1
InChIKey CFVAJDFLSPUGSV-IRFCIJBXSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AeUSl1CzPJ8
Name 4ah-Dibenzo[A,D]cycloheptene-4A,5-diol, 1,2,3,4,5,10,11,11A-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4ar-(4A.alpha.,5.alpha.,11A.beta.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,23)19(22)16(14)12-17(15)24-5/h11-13,18-19,22-23H,6-10H2,1-5H3/t18-,19-,21+/m0/s1
InChIKey CFVAJDFLSPUGSV-IRFCIJBXSA-N
Molecular Weight 332.484 g/mol
SMILES [C@]12([C@](C=3C(=CC(=C(C3)OC)C(C)C)CC[C@]1(C(C)(C)CCC2)[H])(O)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872337