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2a-(Chloromethyl)-A-nor-androstane

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

2a-(Chloromethyl)-A-nor-androstane
SpectraBase Compound ID ALeea1mHKaa
InChI InChI=1S/C19H31Cl/c1-18-8-3-4-16(18)15-6-5-14-10-13(12-20)11-19(14,2)17(15)7-9-18/h13-17H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1
InChIKey QRHZRWOVCUACRI-JRQDRJMYSA-N
Mol Weight 294.91 g/mol
Molecular Formula C19H31Cl
Exact Mass 294.211429 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EqOlqfsiviD
Name 2A-(Chloromethyl)-A-nor-androstane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.211428698 u
Formula C19H31Cl
InChI InChI=1S/C19H31Cl/c1-18-8-3-4-16(18)15-6-5-14-10-13(12-20)11-19(14,2)17(15)7-9-18/h13-17H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1
InChIKey QRHZRWOVCUACRI-JRQDRJMYSA-N
SMILES [C@]12(C3C(C4[C@](CCC4)(C)CC3)CCC1CC(C2)CCl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874749