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2-alpha-Chloro-8,13-epoxylabdane

View entire compound with spectra: 1 NMR, and 1 FTIR

2-alpha-Chloro-8,13-epoxylabdane
SpectraBase Compound ID IiFR7btz2BO
InChI InChI=1S/C20H35ClO/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h14-16H,7-13H2,1-6H3/t14-,15-,16?,18-,19-,20+/m0/s1
InChIKey GNSAGEJBBGEQSN-DELHFRHASA-N
Mol Weight 327.0 g/mol
Molecular Formula C20H35ClO
Exact Mass 326.237643 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ZKTXKAF7px
Name 2-alpha-Chloro-8,13-epoxylabdane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.237643446 u
Formula C20H35ClO
InChI InChI=1S/C20H35ClO/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h14-16H,7-13H2,1-6H3/t14-,15-,16?,18-,19-,20+/m0/s1
InChIKey GNSAGEJBBGEQSN-DELHFRHASA-N
Molecular Weight 326.952 g/mol
SMILES [C@]12(O[C@](CCC2[C@@]2([C@](C(C)(C)C[C@@](C2)(Cl)[H])(CC1)[H])C)(CC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924367