Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

IR (ATR, ν̃): 2972 (m), 2934 (vs), 2911 (s), 2866 (s), 2847 (m), 2825 (w), 1459 (m), 1442 (m), 1378 (m), 1218 (m), 1205 (w), 1198 (w), 1113 (w), 1094 (vs), 1078 (m), 1048 (w), 1027 (m), 1017 (s), 999 (w), 894 (m), 863 (w), 615 (s) cm-1.

Chemical Information

InChI	InChI=1S/C26H41BrO/c1-15(18-11-16(18)14-27)20-5-6-21-19-12-23(28-4)26-13-17(26)7-10-25(26,3)22(19)8-9-24(20,21)2/h15-23H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
SMILES	BrC[C@H]1C[C@@H]1[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]23[C@]1(C)CC[C@@H]3C2)OC)C
InChIKey	XPMFNYCXXXHKST-VVBRJHLJSA-N
Exact Mass	449.507 g/mol

Data and Resources

infrared absorption spectroscopy (IR)HTML

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Related Molecule ⌄

nfdi4chem-mol7667 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.14272/XPMFNYCXXXHKST-VVBRJHLJSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/XPMFNYCXXXHKST-VVBRJHLJSA-N/CHMO0000630
Version
Author	Savumiga Shanmugamani
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-08-27T12:45:43Z
Related Molecule	nfdi4chem-mol7667 (Unknown Molecule)

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.