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2,4-Methano-1H-cycloprop[cd]indene, octahydro-5-methoxy-
SpectraBase Compound ID BoDUMMQYNXi
InChI InChI=1S/C11H16O/c1-12-11-6-2-5-3-8(11)10-7(4-6)9(5)10/h5-11H,2-4H2,1H3/t5?,6-,7-,8+,9?,10+,11?/m0/s1
InChIKey XDWNEVZCWUOAEZ-MXMVUJTCSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FC9Znjo07M1
Name 2,4-Methano-1H-cycloprop[cd]indene, octahydro-5-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.120115134 u
Formula C11H16O
InChI InChI=1S/C11H16O/c1-12-11-6-2-5-3-8(11)10-7(4-6)9(5)10/h5-11H,2-4H2,1H3/t5?,6-,7-,8+,9?,10+,11?/m0/s1
InChIKey XDWNEVZCWUOAEZ-MXMVUJTCSA-N
Molecular Weight 164.248 g/mol
SMILES [C@@]12(C([C@]3([C@]4([C@@](C2)(C4C(C1)C3)[H])[H])[H])OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85684