7-Acetyl-[1(2,3)4]-pentamantane

SpectraBase Compound ID	4BrLaEFqj1t
InChI	InChI=1S/C28H34O/c1-14(29)22-11-26-8-15-2-23-4-16-5-25-7-17-6-24(3-15,18(23)25)20(26)28(10-17,13-22)21(25)27(9-16,12-22)19(23)26/h15-21H,2-13H2,1H3
InChIKey	UBQYRBKBFIXOSY-UHFFFAOYSA-N Google Search
Mol Weight	386.6 g/mol
Molecular Formula	C28H34O
Exact Mass	386.260966 g/mol

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SpectraBase Spectrum ID	CITNUAF7bVy
Name	7-Acetyl-[1(2,3)4]-pentamantane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	386.260965714 u
Formula	C28H34O
InChI	InChI=1S/C28H34O/c1-14(29)22-11-26-8-15-2-23-4-16-5-25-7-17-6-24(3-15,18(23)25)20(26)28(10-17,13-22)21(25)27(9-16,12-22)19(23)26/h15-21H,2-13H2,1H3
InChIKey	UBQYRBKBFIXOSY-UHFFFAOYSA-N
Molecular Weight	386.579 g/mol
SMILES	C123C4C56CC(C1)(C(=O)C)CC17C2C28C9C(CC(CC49CC(C3)C8)C5)(CC(C2)C1)C67
Spectrum/Structure Validation Score (Vapor Phase IR)	0.886221